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Substance Name: Benzenesulfonic acid, 4-(((cyclohexylamino)thioxomethyl)amino)-, 2-(2-benzothiazolyl)hydrazide
RN: 116854-89-8
InChIKey: MXQKEBMVGUWBQC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N5-O2-S3

Molecular Weight

  • 461.6327
 
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Names and Synonyms

Synonym

  • 4-(((Cyclohexylamino)thioxomethyl)amino)benzenesulfonic acid 2-(2-benzothiazolyl)hydrazide

Systematic Name

  • Benzenesulfonic acid, 4-(((cyclohexylamino)thioxomethyl)amino)-, 2-(2-benzothiazolyl)hydrazide

Registry Numbers

CAS Registry Number

  • 116854-89-8

System Generated Number

  • 0116854898

Structure Descriptors

InChI

1S/C20H23N5O2S3/c26-30(27,25-24-20-23-17-8-4-5-9-18(17)29-20)16-12-10-15(11-13-16)22-19(28)21-14-6-2-1-3-7-14/h4-5,8-14,25H,1-3,6-7H2,(H,23,24)(H2,21,22,28)

InChIKey

MXQKEBMVGUWBQC-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(s2)NNS(=O)(=O)c3ccc(cc3)NC(=S)NC4CCCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 50, Pg. 29, 1988.
mouse LD50 oral 1800mg/kg (1800mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 50, Pg. 29, 1988.