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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
 
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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/s1

InChIKey

NEQHFYKZGNVBDG-QQMDNXKGSA-N

Smiles

CC(C)([C@@H](C(=O)O)/N=C/1\CCCCCN1C)S

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.