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Last Loaded on Web: Monday, April 01, 2013
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.
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.
| 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 |
|
The Chapman and Hall Chemical Database is produced by Chapman & Hall/ CRC (UK). Questions concerning file content should be directed to: Managing Editor, Chapman & Hall/CRC 23 Blades Court, Deodar Road London, SW15 2NU United Kingdom
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| 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 |
| 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 |
| 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).
| 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.
| 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 |
| SORTABLE FIELDS | EXAMPLES |
|---|---|
| AA, MF, RN | SORT S1/ALL/RN,D PRINT S5/5/1-24/MF |
| RANK FIELDS | EXAMPLES |
|---|---|
| All phrase- and numeric-indexed fields in the Additional Indexes can be ranked. | RANK NA RANK SF S4 |
| MAP FIELDS | EXAMPLES |
|---|---|
| RN, SY | MAP RN TEMP S2 |
| Display codes listed in the Search Options tables can be used to customize output. | TYPE S4/NA,DP/1-10 |
| 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 |
| 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 For File: Chapman and Hall Chemical Database[303]
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Rank Elements $0.00
Format Types Prints
1 $0.00 $0.00
2 $4.50 $4.50
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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
