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Substance Name: Propanoic acid, 3-(2,2-dimethyl-1-((phenylamino)thioxomethyl)hydrazino)-, octyl ester
RN: 96804-18-1
InChIKey: KJCBBWCGWBSVOC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H33-N3-O2-S

Molecular Weight

  • 379.5657
 
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Names and Synonyms

Synonyms

  • 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)octylpropionate
  • Octyl 3-(2,2-dimethyl-1-((phenylamino)thioxomethyl)hydrazino)propanoate

Systematic Name

  • Propanoic acid, 3-(2,2-dimethyl-1-((phenylamino)thioxomethyl)hydrazino)-, octyl ester

Registry Numbers

CAS Registry Number

  • 96804-18-1

System Generated Number

  • 0096804181

Structure Descriptors

InChI

1S/C20H33N3O2S/c1-4-5-6-7-8-12-17-25-19(24)15-16-23(22(2)3)20(26)21-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3,(H,21,26)

InChIKey

KJCBBWCGWBSVOC-UHFFFAOYSA-N

Smiles

C(=S)(N(CCC(=O)OCCCCCCCC)N(C)C)Nc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2425mg/kg (2425mg/kg)   British UK Patent Application. Vol. #2144121,