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Substance Name: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-((phenylamino)thioxomethyl)hydrazide
RN: 94771-94-5
InChIKey: OXDSEFQDFWEXEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N7-O3-S

Molecular Weight

  • 413.4601
 
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Names and Synonyms

Synonyms

  • 1-(5-(3,4-Dimethoxyphenyl)tetrazol-2-ylacetyl)-4-phenylthiosemicarbazide
  • 4-Phenyl-1-(5-(3,4-dimethoxyphenyl)tetrazol-2-yl-acetyl)thiosemicarbazide
  • 5-(3,4-Dimethoxyphenyl)-2H-tetrazole-2-acetic acid 2-((phenylamino)thioxomethyl)hydrazide
  • BRN 4598283

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94771-94-5

System Generated Number

  • 0094771945

Structure Descriptors

InChI

1S/C18H19N7O3S/c1-27-14-9-8-12(10-15(14)28-2)17-21-24-25(23-17)11-16(26)20-22-18(29)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,26)(H2,19,22,29)

InChIKey

OXDSEFQDFWEXEU-UHFFFAOYSA-N

Smiles

N(NC(=S)Nc1ccccc1)C(=O)Cn1nc(nn1)c1cc(c(cc1)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 35, Pg. 333, 1987.
mouse LD50 oral 500mg/kg (500mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 23, Pg. 1133, 1984.