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Substance Name: Butanoic acid, 3-mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)-
RN: 105099-11-4
InChIKey: IZXUNIXXQYSAGV-XAPLUZPNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H18-N2-O2-S

Molecular Weight

  • 230.3302
 
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Names and Synonyms

Synonyms

  • 3-Mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)butanoic acid
  • BRN 5526037

Systematic Name

  • Butanoic acid, 3-mercapto-3-methyl-2-((1-methyl-2-pyrrolidinylidene)amino)-

Registry Numbers

CAS Registry Number

  • 105099-11-4

System Generated Number

  • 0105099114

Structure Descriptors

InChI

1S/C10H18N2O2S/c1-10(2,15)8(9(13)14)11-7-5-4-6-12(7)3/h8,15H,4-6H2,1-3H3,(H,13,14)/b11-7+/t8-/m1/s1

InChIKey

IZXUNIXXQYSAGV-XAPLUZPNSA-N

Smiles

CC(C)([C@@H](C(=O)O)/N=C/1\CCCN1C)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.