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Substance Name: Butanoic acid, 2-((hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methyl-
RN: 105099-15-8
InChIKey: NEQHFYKZGNVBDG-QQMDNXKGSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C12-H22-N2-O2-S
Molecular Weight
- 258.3838
Names and Synonyms
Synonyms
- 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid
- BRN 5535310
Systematic Name
- Butanoic acid, 2-((hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methyl-
Registry Numbers
CAS Registry Number
- 105099-15-8
System Generated Number
- 0105099158
Structure Descriptors
InChI
1S/C12H22N2O2S/c1-12(2,17)10(11(15)16)13-9-7-5-4-6-8-14(9)3/h10,17H,4-8H2,1-3H3,(H,15,16)/b13-9+/t10-/m1/s1InChIKey
NEQHFYKZGNVBDG-QQMDNXKGSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1gm/kg (1000mg/kg) | Pharmaceutical Chemistry Journal Vol. 21, Pg. 842, 1987. |