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Substance Name: Benzenesulfonic acid, 4-((((phenylmethyl)amino)thioxomethyl)amino)-, 2-(2-benzothiazolyl)hydrazide
RN: 116854-86-5
InChIKey: SMOQPNVPPSPRDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N5-O2-S3

Molecular Weight

  • 469.6121
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116854-86-5

System Generated Number

  • 0116854865

Structure Descriptors

InChI

1S/C21H19N5O2S3/c27-31(28,26-25-21-24-18-8-4-5-9-19(18)30-21)17-12-10-16(11-13-17)23-20(29)22-14-15-6-2-1-3-7-15/h1-13,26H,14H2,(H,24,25)(H2,22,23,29)

InChIKey

SMOQPNVPPSPRDA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)NNc3nc4ccccc4s3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 50, Pg. 29, 1988.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 50, Pg. 29, 1988.