CAS Number59-63-2
Synonymsisocarboxazide; Benazide; 5-Methyl-isoxazol-3-carbonsaeure-(N'-benzyl-hydrazid); Marplan; Isocarboxazidum; N'-Benzyl-5-methylisoxazol-3-carbohydrazid; Isocarboxazida; 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide; N'-benzyl-5-méthylisoxazole-3-carbohydrazide; Isocarbonazid; Isocarboxazid; N'-benzyl-5-methylisoxazole-3-carbohydrazide; N-Benzyl-N'-<5-methyl-isoxazol-3-yl>-carbonyl-hydrazin; Isocarbossazide; N'-Benzyl-5-methyl-1,2-oxazole-3-carbohydrazide; Isocarboxyzid; Enerzer; 5-methyl-isoxazole-3-carboxylic acid-(N'-benzyl-hydrazide); isocarboxacid; 5-methyl-N'-(phenylmethyl)isoxazole-3-carbohydrazide
Molecular FormulaC12H13N3O2
Molecular Weight231.25
Purity96+%
Density1.2±0.1 g/cm3
Boiling Point394.5±42.0 °C at 760 mmHg
Melting Point98-100ºC
Appearancesolid
EINECS200-438-4
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 59-63-2 |
| Catalog No. | 2A-0160011 |
| Chinese Name | 异卡波肼 |
| Synonyms | isocarboxazide; Benazide; 5-Methyl-isoxazol-3-carbonsaeure-(N'-benzyl-hydrazid); Marplan; Isocarboxazidum; N'-Benzyl-5-methylisoxazol-3-carbohydrazid; Isocarboxazida; 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide; N'-benzyl-5-méthylisoxazole-3-carbohydrazide; Isocarbonazid; Isocarboxazid; N'-benzyl-5-methylisoxazole-3-carbohydrazide; N-Benzyl-N'-<5-methyl-isoxazol-3-yl>-carbonyl-hydrazin; Isocarbossazide; N'-Benzyl-5-methyl-1,2-oxazole-3-carbohydrazide; Isocarboxyzid; Enerzer; 5-methyl-isoxazole-3-carboxylic acid-(N'-benzyl-hydrazide); isocarboxacid; 5-methyl-N'-(phenylmethyl)isoxazole-3-carbohydrazide |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.25 |
| Purity | 96+ |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 394.5±42.0 °C at 760 mmHg |
| Melting Point | 98-100ºC |
| Appearance | solid |
| Storage Condition | -20°C Freezer |
| Packaging | III |
| Application | Isocarboxazid is a non-selective, irreversible monoamine oxidase inhibitor with an IC50 value of 4.8 μM measured in rat brain. |
| EINECS | 200-438-4 |
| HTC | 2934999090 |
| UN(IATA) | 0 |
| PubChem ID | 329793789 |
| MDL Number | MFCD00865409 |
| SMILES | Cc1cc(no1)C(=O)NNCc2ccccc2 |
| 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) |
| InChI Key | XKFPYPQQHFEXRZ-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352125 |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/160011_1_59_63_2.pdf |
| Use of | Isocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1]. Properties Name N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide Synonym More Synonyms Isocarboxazid Biological Activity Description Isocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1]. Related Catalog Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease IC50: 4.8 μM (rat brain monoamine oxidase)[1]. References [1]. MAXWELL DR, et al. Relative activity of some inhibitors of mono-amine oxidase in potentiating the action of tryptamine in vitro and in vivo. Br J Pharmacol Chemother. 1961 Dec;17:310-20. Chemical & Physical Properties Molecular Formula C12H13N3O2 Exact Mass 231.100784 PSA 67.16000 Index of Refraction 1.573 InChIKey XKFPYPQQHFEXRZ-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 3-Isoxazolecarboxylic acid, 5-methyl-, 2-benzylhydrazide CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C12-H13-N3-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5NOJ C1 EVMM1R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : 4800 ug/kg/21W-I TOXIC EFFECTS : Nutritional and Gross Metabolic - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - nausea or vomiting TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Primate - monkey DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SEX/DURATION : female 10-22 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - behavioral TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SEX/DURATION : female 10 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death TYPE OF TEST : DNA damage TYPE OF TEST : DNA damage MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : REFERENCE : Safety Information Signal Word Danger Hazard Statements H301 Precautionary Statements Missing Phrase - N15.00950417 RIDADR UN 3249 Packaging Group III Hazard Class 6.1(b) HS Code 2934999090 Synthetic Route Methyl 5-methyl... CAS#:19788-35-3 Benzylhydrazine... CAS#:20570-96-1 Isocarboxazid CAS#:59-63-2 Literature: Journal of Heterocyclic Chemistry, , vol. 46, # 5 p. 909 - 913 5-Methyl-3-isox... CAS#:91397-11-4 Isocarboxazid CAS#:59-63-2 Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 3-Isoxazolecarb... CAS#:62438-03-3 Isocarboxazid CAS#:59-63-2 Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 Precursor & DownStream Precursor 6 CAS#:19788-35-3 Methyl 5-methyl... CAS#:20570-96-1 Benzylhydrazine... CAS#:91397-11-4 5-Methyl-3-isox... CAS#:62438-03-3 3-Isoxazolecarb... DownStream 1 CAS#:491594-42-4 2-benzyl-4-(2-o... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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