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303
Chapman and Hall Chemical Database

Last Loaded on Web: Tuesday, October 01, 2013

Last Update To Bluesheet: April 15, 2005

Bluesheet Contents     PDF version

File Description Dialog File Data Special Features Sample Record Sort Rates
Subject Coverage Database Content DIALINDEX/OneSearch Categories Basic Index Rank
Sources Document Types Indexed Contact Additional Indexes Map
Print Counterparts Geographic Coverage Terms and Conditions Limit Predefined Format Options


File Description [top]

The Chapman & Hall Chemical Database (CHCD), formerly HEILBRON, the chemical properties database, represents the complete text of several chemical dictionaries from Chapman and Hall. CHCD is a source database of chemical identification, physical-chemical properties, use, hazard, and key reference data to the world's more important chemical substances, as selected by a panel of experts. CHCD provides chemical substance identification through searching physical and/or chemical properties, compound variants, derivative names, synonyms, CAS® Registry numbers, molecular formulae and molecular weight, biological source statements, use/importance data, melting point, freezing point, boiling point, solubility, relative density, optical rotation, and dissociation constants, as well as providing suppliers and toxicity data.



Subject Coverage [top]

  • Fundamental acyclic, alicyclic, aromatic and heterocyclic organic compounds.
  • Comprehensive coverage for natural products including alkaloids, amino acids, antibiotics, carbohydrates, flavonoids, lichen acids, lignans, nucleosides, peptides, steroids, tannins, and terpenoids.
  • Pharmaceuticals including marketed drugs and compounds in clinical trials.
  • Pharmaceuticals including marketed drugs and compounds in clinical trials.
  • Analytical reagents: biological status, extractants, indicators, nmr shift reagents, resolving agents.
  • Industrial chemicals, synthetic reagents and laboratory solvents.
  • A wide range of inorganic and organometallic compounds, covering coordination complexes and cluster compounds.
  • Compounds with unusual structural, physical or chemical properties.


Sources [top]

CHCD is the online version of the database used to produce the Dictionary of Organic Compounds - 5th Edition, (DOC 5) and the Dictionary of Organometallic Compounds (DMC) and supplements. The contents of the database are prepared from the primary and secondary chemical literature under the supervision of a panel of subject experts. Material from the following source books is also included: Carbohydrates, Amino Acids and Peptides, the Dictionary of Antibiotics and Related Compounds, and the Dictionary of Organophosphorus Compounds.



Print Counterparts [top]

  • CHCD is the online version of the database used to produce:
  • Amino Acids and Peptides (Chapman & Hall Chemistry Sourcebook)
  • Carbohydrates (Chapman & Hall Chemistry Sourcebook)
  • Dictionary of Analytical Reagents
  • Dictionary of Alkaloids
  • Dictionary of Antibiotics and Related Substances
  • Dictionary of Drugs
  • Dictionary of Inorganic Compounds
  • Dictionary of Natural Products
  • Dictionary of Organic Compounds
  • Dictionary of Organometallic Compounds
  • Dictionary of Organophosphorus Compounds
  • Dictionary of Pharmacological Agents
  • Dictionary of Steroids
  • Dictionary of Terpenoids
  • The Lipid Handbook, 2nd Edition
  • Phytochemical Dictionary of the Leguminosae


Dialog File Data [top]

Dates Covered: Latest editions of printed counterparts (which include citations from chemical literature to the present, with many pre-1967 citations)
File Size: 442,257 records as of May 1997
Update Frequency: Irregular


Database Content [top]

  • Directories


Document Types Indexed [top]

  • Chemical Substances


Geographic Coverage [top]

  • International


Geographic Restrictions [top]

  • None


Special Features [top]

  • ERA Available
  • Graduate Education Program
  • KWIC and HILIGHT Available
  • MAP Available


DialIndex/OneSearch Categories [top]

ACRONYM CATEGORY NAME
CASREGNO CAS(R) Registry Numbers-Chemical and Medical Files
CHEMPROP Chemical Properties
CHEMSUBS Chemical Substances
RNCHEM CAS(R) Registry Numbers - Chemistry Files
TOXHAND Toxicity Handbooks


Contact [top]

The Chapman and Hall Chemical Database is produced by Chapman & Hall/ CRC (UK). Questions concerning file content should be directed to:

Dr. Fiona Macdonald
Managing Editor, Chapman & Hall/CRC
23 Blades Court, Deodar Road
London, SW15 2NU
United Kingdom
Telephone: +44 (0) 208 875 4375
Fax: +44 (0) 208 871 3443
E-Mail: fmacdonald@crcpress.com


Terms and Conditions [top]

For Dialog's Redistribution and Archive Policy, enter HELP ERA online. The Following Terms and Conditions also apply.

The Chapman and Hall Chemical Database (CHCD) is copyrighted by Chapman and Hall Ltd. All customers using the CHCD Online are subject to the following nine points and conditions as prescribed by Chapman and Hall Ltd.

1. That all data retrieved from the CHCD is the copyright of Chapman and Hall Ltd.

2. That any searches against the CHCD will be conducted by the Customer's employees for the customer's internal use only, and the results will not be disclosed or transmitted to any third party, except as permitted in paragraphs 4-7 below.

3. No part of the CHCD may be copied in the machine-readable, hard copy, or any other form, or made available for the use of any third party without the permission of Chapman and Hall Ltd., except as provided by Dialog's current Terms and Conditions.

4. That, in the event that the customer wishes to conduct searches on behalf of third parties then the customer will notify Chapman and Hall Ltd. to this effect confirming that all the conditions of these provisions will be adhered to. Searching for third parties will not be permitted until permission has been confirmed by Chapman and Hall Ltd. in writing.

5. Any search carried out for a third party will be performed directly by the customer's employees only and will be solely for that third party.

6. Any search conducted for a third party will be solely for that third party, who will undertake that the results of such a search are for their own internal use only.

7. Whenever the customer obtains information from the CHCD for a third party, the customer shall make an acknowledgment to the third party of the ownership by Chapman and Hall Ltd. of the data concerned and all rights therein.

8. Although this database was formulated with a reasonable standard of care and in conformance to professional standards in the field, Chapman and Hall Ltd. makes no representations or warranties, express or implied, including but not limited to any implied warranty of merchantability or fitness for a particular purpose with respect to CHCD and specifically disclaims all such representations and warranties. Chapman and Hall Ltd. shall not in any circumstances be liable or responsible for the completeness or accuracy of any data comprised in the CHCD nor for the transmission of such data and will not be liable for any indirect consequential or economic loss or loss of profit resulting directly or indirectly from the use by the customer of such data or from the performance or non-performance by Chapman and Hall Ltd. of its obligations hereunder.

9. These terms and conditions are to be governed by English Law. Any questions concerning the interpretation of any of these conditions should be referred to Scientific Data Division, Chapman and Hall, 2-6 Boundary Row, London, SE1 8HN.


Dialog Standard Terms & Conditions apply.


SAMPLE RECORD [top]

FORMAT 5 AND 9 FULL RECORD

     DIALOG(R)File 303:Chapman & Hall Chemical Database 
     (c) 1995 Chapman & Hall. All rts. reserv. 
     
  /MAIN   00007992 
  SF=   Subfile: Dictionary of Natural Products, 1994 
     CHCD Acc. No: A-01440V0 
  AA=   Unique Key: 00019586- -00 
  /NA, NA=, /DE, /CN, CN=   CHCD NAME: 4-Amino-3-isoxazolidinone 
  /SY, SY=, /DE, /NA, NA=   Synonyms:  Cycloserine  ;  Cyclomycin;  Closina;  Micoserina; 
           Farmiserina; Orientomycin; Oxymycin; Antibiotic 106-7; 
           Antibiotic 5915; Antibiotic 8217;  Antibiotic  17452; 
           Antibiotic  E  733A;  Antibiotic  I 1431; Antibiotic  K 300; 
           Antibiotic NJ 21; Antibiotic PA 94; 
  /TX   Compound Type:  Drug - Antibacterial agents;  Drugs - Antibiotics; 
           Drugs - Tuberculostatic agents 
  RN=   CAS Registry No: 4834-58-6 
     Additional CAS Reg. No: 339-72-0 
  MF=   Molecular Formula: C3H6N2O2 
  MW=   Molecular Wt: 102.093 
     Unique Key: 00019586-A-00 
  /VAR   VARIANT: 4-Amino-3-isoxazolidinone\(R)-form 
          Compound  Type:  Selected  General Organics - Miscellaneous 
          modified aminoacids;  Natural  Products - Miscellaneous 
          modified aminoacids; Natural Products - Isoazole alkaloids 
            Hazard: CNS adverse effects reported when used 
            therapeutically. LD50 (mus, orl) 5290 mg/kg 
          Source:  Prod.  by  Streptomyces garyphalus, Streptomyces 
          orchidaceus, Streptomyces lavendulae and Streptomyces 
          nagasakiensis 
          Use/Importance: Shows antibiotic activity primarily against 
          mycobacteria. 
          Tuberculostatic 
          Physical State: Cryst. 
          Miscellaneous: Of limited clinical use due to toxicity 
          CAS Registry No: 68-41-7 
          RTECS No.: NY2975000 
          Solubility: Sol. H2O, alkalis 
          Optical  Rotation: +116 deg at 23 deg C (c, 1.17 in H2O) 
          wavelength Na line 
          Melting Pt: Mp 155-156 deg C (dec.) 
     Unique Key: 00019586-A-01 
  /DERIV   DERIVATIVE: 4-Amino-3-isoxazolidinone\(R)-form\N-Ac 
          Physical State: Needles 
          Molecular Formula: C5H8N2O3 
          Molecular Wt: 144.130 
          Melting Pt: Mp 179-180 deg C 
     Unique Key: 00019586-A-02 
  /DERIV   DERIVATIVE: 4-Amino-3-isoxazolidinone\(R)-form\N N'-Di-Ac 
          Physical State: Chunky needles (Me2CO) 
          Molecular Formula: C7H10N2O4 
          Molecular Wt: 186.167 
          Melting Pt: Mp 121-122 deg C 
     Unique Key: 00019586-B-00 
  /VAR   VARIANT: 4-Amino-3-isoxazolidinone\(S)-form 
          CAS Registry No: 339-72-0 
          Optical  Rotation:  -104  deg  at 20 deg C (c, 1 in H2O) 
          wavelength Na line 
          Melting Pt: Mp 146 deg C (dec.) 
     Unique Key: 00019586-C-00 
  /VAR   VARIANT: 4-Amino-3-isoxazolidinone\(+/-)-form 
          CAS Registry No: 68-39-3 
          RTECS No.: NY2974900 
          Melting Pt: Mp 137-140 deg C 
     References: 
          01 Aldrich Library of FT-IR Spectra, 1st edn. 810A (ir) 
          02 Aldrich Library of NMR Spectra, 2nd edn. 1 678B (nmr) 
          03 Harned  RL  et al., Antibiot. Chemother. (Washington, D.C.) 
          1955 5 204 (struct) 
          04A Stammer CH et al., J.A.C.S. 1955 77 2344, 2345, 2346 
          04B 1957 79 3236 (struct, synth, isol, resoln) 
          05 Neuhaus FC Antibiotics (N.Y.) 1967 1 40 (rev) 
          06 Milne GWA et al., Tetrahedron 1967 23 65 (nmr, ms) 
          07 Lamb JW Anal. Profiles Drug Subst. 1972 1 53 (rev, synth, 
          anal) 
          08 O'Brien P Met. Ions Biol. Syst. 1985 19 295 (rev, pharmacol) 
         09  Negwer  M  Organic-Chemical  Drugs  and  their  Synonyms 
          6th Ed., Akademie-Verlag, Berlin 1987 107 (synonyms) 
          10 El-Obeid HA et al., Anal. Profiles Drug Subst. 1989 18 567 
          (rev) 
          11 Merck Index 11th edn. 1989 2758 
          12  Martindale,  The  Extra  Pharmacopoeia  30th  edn., 
          Pharmaceutical Press, London 1993 156 
          79  Lewis  RJ  Sax's  Dangerous Properties of Industrial 
          Materials 
          8th Ed., Van Nostrand-Reinhold 1992 CQH000 
  /DP, DP=   Data  Tags:  Cas  Registry  number;  Molecular  formula; Compound 
           Variants; Source;  Use/Importance;  Physical State; Solubility; 
          Melting Point; Optical Rotation;  Miscellaneous Data; 
           Hazard/Toxicity Data; Rtecs Reference; Derivatives 

FORMAT 2, 3, 4 AND 7 INDIVIDUAL COMPOUND

     DIALOG(R)File 303:Chapman & Hall Chemical Database 
     (c) 1995 Chapman & Hall. All rts. reserv. 
     
  /VAR   00007993 
  SF=   Subfile: Dictionary of Natural Products  1994 
  AA=   Unique key: 00019586-A-00 
  /NA, NA=, /CN   VARIANT: 4-Amino-3-isoxazolidinone\(R)-form 
  RN=   CAS Registry No: 68-41-7 
  /TX   Compound   Type:  Selected  General Organics - Miscellaneous 
          modified aminoacids  Natural  Products - Miscellaneous 
          modified aminoacids Natural Products - Isoazole alkaloids 
  RR=   RTECS: NY2975000 
  /TX   Hazard:  CNS adverse effects reported when used therapeutically. 
          LD50 (mus, orl) 5290 mg/kg 
  /TX   Source:   Prod.  by  Streptomyces  garyphalus,  Streptomyces 
          orchidaceus, Streptomyces lavendulae and Streptomyces 
          nagasakiensis 
  /TX   Use/Importance:  Shows antibiotic activity primarily against 
          mycobacteria. 
          Tuberculostatic 
  PS=   Physical State: Cryst. 
  MP=   Melting Pt.: Mp 155-156 deg C (dec.) 
  SL=   Solubility: Sol. H2O, alkalis 
  OP=, OT=   Optical Rotation: +116 deg at 23 deg C (c, 1.17 in H2O) 
     wavelength Na line 
  /TX   Miscellaneous: Of limited clinical use due to toxicity 
  /DP, DP=   Data  Tags: Compound Variants; Cas Registry number; Source; 
     Use/Importance; Physical  State; Solubility; Melting Point; Optical 
     Rotation; Miscellaneous Data; Hazard/Toxicity Data; Rtecs Reference 
Note: /MAIN, /DERIV, and /VAR search only the individual compound


BASIC INDEX [top]

SEARCH
SUFFIX
DISPLAY
CODE
FIELD NAME
INDEXING
SELECT EXAMPLES
None None All Basic Index Fields Word S AMINO(1W)ISOXAZOLIDINONE
/CN CN Main CHCD Substance Name, Variant Name(s), Derivative Name(s)1,2,4 Segment
& Word & Phrase
S ONE/CN
S AMINO(1W)ISOXAZOLIDINONE/CN
S 4-AMINO-3-ISOXAZOLIDINONE/CN
/DE DE CHCD Name, Variant Name, Derivative Name, and Synonyms1,2,4,5 Segment
& Word & Phrase
S ONE/DE
S AMINO(1W)ISOXAZOLIDINONE/DE
S 4-AMINO-3-ISOXAZOLIDINONE/DE
/DERIV None Derivative Substance Information4 Segment
& Word & Phrase
S ONE/DERIV
S AMINO(1W)ISOXAZOLIDINONE/NA,DERIV
S 4-AMINO-3-ISOXAZOLIDINONE?/DERIV
/DP DP Data Present1,4 Word
& Phrase
S BOILING(W)POINT/DP
S BOILING POINT/DP
/EC None Element Count4 Word S C3/EC
/MAIN None Main CHCD Substance Information4 Segment
& Word & Phrase
S ONE/MAIN
S AMINO(1W)ISOXAZOLIDINONE/MAIN,NA
S 3-AMINO-3-ISOXAZOLIDINONE/MAIN
/NA NA CHCD Name, Variant Name, Derivative Name, and Synonyms1,2,4 Segment
& Word & Phrase
S ONE/NA
S AMINO(1W)ISOXAZOLIDINONE/NA
S 4-AMINO-3-ISOXAZOLIDINONE/NA
/SY SY Synonyms1,2,4 Segment
& Word & Phrase
S CYCLO/SY
S ANTIBIOTIC(W)17452/SY
S ANTIBIOTIC 17452/SY
/TX TX Text3,4 Word S CNS(W)ADVERSE/TX
/VAR None Compound Variant Information4 Segment
& Word & Phrase
S ONE/VAR
S (ISOAZOLE(W)ALKALOIDS)/VAR,NA
S 4-AMINO-3-ISOXAZOLIDINONE?/VAR

1 Searchable in the Basic Index and in the Additional Indexes.

2 All chemical names are indexed as complete phrases, individual words, and chemically significant segments of words. Use /FW to retrict retrieval to the complete term, e.g., S ETHANE/FW to only select ethane as a single word rather than as a segment of a larger chemical term, such as trichloroethane.

3 The Text field includes Compound Type, Hazard Information, General Information, Source of Substance, Use/Importance, Miscellaneous,and Physical State.

4 Terms can be qualified to any one of three levels using one of the following suffixes: /MAIN to restrict retrieval to the Main CHC substance information; /VAR to restrict retrieval to the Compound Variant substance information, and /DERIV to restrict retrieval to the Derivative substance information (e.g., MP=24/VAR retrieves compound variant substances with a melting point of 24).

5 Also /DF.


ADDITIONAL INDEXES [top]

SEARCH
PREFIX
DISPLAY
CODE
FIELD NAME
INDEXING
SELECT EXAMPLES
AA= AA Unique ID Phrase S AA=00019586-A-00
None AN DIALOG Accession Number
BP= BP Boiling Point (degrees Celsius)4,6 Numeric S BP=120
BT= BP Boiling Point Text4 Word S BT=2MM(F)BP=120
CN= CN Main CHCD Substance Information1,4 Phrase S CN=4-AMINO-3-ISOXAZOLIDINONE
DP= DP Data Present Phrase S DP=BOILING POINT
EC= None Element Count4 Word S EC=C0003
ME= MF Molecular Element4 Phrase S ME=CHNO
MF= MF Molecular Formula4 Phrase S MF=C3H6N2O2
S MF=C3H6N2O2/MAIN
S MF=C5H8N2O3/DERIV
S MF=C13H9NO/VAR
MP= MP Melting Point (degrees Celsius)4,6 Numeric S MP=155
MW= MW Molecular Weight4,6 Numeric S MW=102.093
NA= NA Chemical Name1,4 Phrase S NA=CYCLOSERINE
OP= OP Optical Rotation (degrees)4,6 Numeric S OP=116
OT= OP Optical Rotation Text4 Word S OT=(NA(W)LINE)
PK= PK Dissociation Constant (pKa)4,6 Numeric S PK=9.47
PS= PS Physical State4 Word S PS=CRYST?
RN= RN CAS(R) Registry Number4 Phrase S RN=4834-58-6
S RN=339-72-0/VAR
S RN=23113-01-1/DERIV
RR= RR RTECS Reference4 Phrase S RR=NY2975000
SF= SF Dictionary Name (Subfile) Phrase S SF=DICTIONARY OF NATURAL PRODUCTS
SG= SG Specific Gravity or Relative Density4,6 Numeric S SG=1.10:1.25
SL= SL Solubility4 Word S SL=(SOL(2W)ALKALIS)
ST= SG Specific Gravity Text Word S ST=(AT(W)20(W)DEG(W)C)
UD= None Update Phrase S UD=9999

6 Numeric values can be entered in several different ways: directly as a number, i.e., S BP=100.0; in exponential notation, i.e., S BP=1E2. Letter abbreviations are also available: K for thousand, M for million, B for billion, e.g., S BP=0.5K:1.0K. To search a range of values, use a colon between starting and ending value, e.g., S BP=78:79 OR use numeric operators (>, <, >=, and <=), e.g., S 78<=BP<=79.


LIMIT [top]

SUFFIX FIELD NAME EXAMPLES
/DOC Dictionary of Organic Compounds S S3/DOC
/HZ Hazard/Toxicity Data available S S4/HZ
/NOHZ Hazard/Toxicity Data unavailable S S2/NOHZ


SORT [top]

SORTABLE FIELDS EXAMPLES
AA, MF, RN SORT S1/ALL/RN,D
PRINT S5/5/1-24/MF


RANK [top]

RANK FIELDS EXAMPLES
All phrase- and numeric-indexed fields in the Additional Indexes can be ranked. RANK NA
RANK SF S4


MAP [top]

MAP FIELDS EXAMPLES
RN, SY MAP RN TEMP S2


USER-DEFINED FORMAT OPTIONS [top]

Display codes listed in the Search Options tables can be used to customize output. TYPE S4/NA,DP/1-10


PREDEFINED FORMAT OPTIONS [top]

NO.
DIALOGWEB
FORMAT
RECORD CONTENT
1 -- DIALOG Accession Number
2 -- Individual Compound (Variant, Derivative, or Main Compound)
3 Medium Individual Compound (Variant, Derivative, or Main Compound)
4 -- Individual Compound (Variant, Derivative, or Main Compound)
5 -- Full Record
6 Free Compound Name, CAS Registry Number, Data Present
7 Long Individual Compound (Variant, Derivative, or Main Compound)
8 Short Compound Name, Synonyms, CAS Registry Number, Data Present, Subfile
9 Full Full Record
K -- KWIC (Key Word In Context) displays a window of text; may be used alone or with other formats


DIRECT RECORD ACCESS [top]

FIELD NAME EXAMPLES
If the accession number of a specific record is known, it can be used to display the record directly. TYPE 00007993/2
DISPLAY 00007993/NA,RN
PRINT 00007993/9


Rates [top]

Rates For File: Chapman and Hall Chemical Database[303]
Cost per DialUnit:                 $4.50
Cost per minute:                   $1.62
Rank Elements                      $0.00

Format    Types   Prints
     1    $0.00    $0.00
     2    $4.50    $4.50
     3    $4.50    $4.50
     4    $4.50    $4.50
     5    $9.00    $9.00
     6    $0.00    $0.00
     7    $4.50    $4.50
     8    $0.00    $0.00
     9    $8.00    $8.00
KWIC95    $2.00       NA
KWIC96    $2.00       NA

REDIST/COPY Multiplier Table:

      Range      Multiplier
        1-2       1.00
       3-25       1.50
     26-100       3.00
    101-200       4.00
    201-500       6.00
   501-1000       8.00
 1001 or more    10.00

ARCHIVE Multiplier Table:

      Range      Multiplier
       1-25       1.50
     26-200       3.00
    201-500       6.00
   501-1000       8.00
 1001 or more    10.00
[top]



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