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Substance Name: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((4-chlorophenyl)amino)thioxomethyl)hydrazide
RN: 94771-99-0
InChIKey: MCLRSKQPGOQPMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Cl-N7-O3-S

Molecular Weight

  • 447.9052
 
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Names and Synonyms

Synonyms

  • 4-(4-Chlorophenyl)-1-(5-(3,4-dimethoxyphenyl)tetrazol-2-yl-acetyl)thiosemicarbazide
  • BRN 4606188

Systematic Name

  • 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((4-chlorophenyl)amino)thioxomethyl)hydrazide

Registry Numbers

CAS Registry Number

  • 94771-99-0

System Generated Number

  • 0094771990

Structure Descriptors

InChI

1S/C18H18ClN7O3S/c1-28-14-8-3-11(9-15(14)29-2)17-22-25-26(24-17)10-16(27)21-23-18(30)20-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,21,27)(H2,20,23,30)

InChIKey

MCLRSKQPGOQPMO-UHFFFAOYSA-N

Smiles

N(NC(=S)Nc1ccc(cc1)Cl)C(=O)Cn1nc(nn1)c1cc(c(cc1)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 23, Pg. 1133, 1984.