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Substance Name: Isocarboxazid [USP:INN:BAN]
RN: 59-63-2
UNII: 34237V843T
InChIKey: XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Note
- An MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311).
Molecular Formula
- C12-H13-N3-O2
Molecular Weight
- 231.2537
- All
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- Registry Numbers
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- Toxicity
- Physical Properties
Classification Codes
- Antidepressant
- Antidepressive Agents
- Central Nervous System Agents
- Drug / Therapeutic Agent
- Enzyme Inhibitors
- Human Data
- Monoamine Oxidase Inhibitors
- Mutation Data
- Psychotropic Drugs
- Reproductive Effect
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Names and Synonyms
Name of Substance
- Isocarboxazid
- Isocarboxazid [USP:INN:BAN]
MeSH Heading
- Isocarboxazid
Synonyms
- 1-Benzyl-2-(5-methyl-3-isoxazolyl-carbonyl)hydrazine
- 4-27-00-03999 (Beilstein Handbook Reference)
- 5-Methyl-3-isoxazolecarboxylic acid 2-benzylhydrazide
- Benazide
- BRN 0201295
- CCRIS 9178
- EINECS 200-438-4
- Enerzer
- Isocarbonazid
- Isocarbossazide
- Isocarbossazide [DCIT]
- Isocarboxazid
- Isocarboxazida
- Isocarboxazida [INN-Spanish]
- Isocarboxazide
- Isocarboxazide [INN-French]
- Isocarboxazidum
- Isocarboxazidum [INN-Latin]
- Marplan
- N'-Benzyl N-methyl-5-isoxazolecarboxylhydrazide-3
- NSC 169893
- Ro 5-0831
- Ro 5-0831/1
- UNII-34237V843T
Systematic Names
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-benzylhydrazide
- Isocarboxazid
Registry Numbers
CAS Registry Number
- 59-63-2
FDA UNII
- 34237V843T
System Generated Number
- 0000059632
Structure Descriptors
InChI
InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)InChIKey
XKFPYPQQHFEXRZ-UHFFFAOYSA-NSmiles
Cc1onc(c1)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | > 40mg/kg (40mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Annals of the New York Academy of Sciences. Vol. 80, Pg. 626, 1959. |
| monkey | LD50 | oral | 160mg/kg (160mg/kg) | Annals of the New York Academy of Sciences. Vol. 80, Pg. 626, 1959. | |
| mouse | LD50 | intraperitoneal | 138mg/kg (138mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 133, 1960. | |
| mouse | LD50 | oral | 193mg/kg (193mg/kg) | Annals of the New York Academy of Sciences. Vol. 80, Pg. 626, 1959. | |
| mouse | LD50 | subcutaneous | 150mg/kg (150mg/kg) | Toxicology and Applied Pharmacology. Vol. 39, Pg. 141, 1977. | |
| rat | LD50 | intraperitoneal | 199mg/kg (199mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 240, 1972. | |
| rat | LD50 | oral | 280mg/kg (280mg/kg) | Annals of the New York Academy of Sciences. Vol. 80, Pg. 626, 1959. | |
| women | TDLo | oral | 4800ug/kg/21W (4.8mg/kg) | Journal of Clinical Pyschopharmacology. Vol. 3, Pg. 42, 1983. | |
| women | TDLo | oral | 4800ug/kg/21W (4.8mg/kg) | Journal of Clinical Pyschopharmacology. Vol. 3, Pg. 42, 1983. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 105-106 | deg C | EXP | |
| pKa Dissociation Constant | 10.4 | (none) | EXP | |
| log P (octanol-water) | 1.49 | (none) | EXP | |
| Water Solubility | 1600 | mg/L | 25 | EST |
| Vapor Pressure | 1.63E-07 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.90E-14 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 9.22E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.