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Substance Name: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide
RN: 111897-72-4
InChIKey: ALOQCBUDJNZJIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N7-O4-S

Molecular Weight

  • 443.4859
 
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Names and Synonyms

Synonym

  • 1-(5-(3,4-Dimethoxyphenyl)tetrazol-2-ylacetyl)-4-(4-methoxyphenyl)thiosemicarbazide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111897-72-4

System Generated Number

  • 0111897724

Structure Descriptors

InChI

1S/C19H21N7O4S/c1-28-14-7-5-13(6-8-14)20-19(31)23-21-17(27)11-26-24-18(22-25-26)12-4-9-15(29-2)16(10-12)30-3/h4-10H,11H2,1-3H3,(H,21,27)(H2,20,23,31)

InChIKey

ALOQCBUDJNZJIR-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)NC(=S)NNC(=O)Cn2nc(nn2)c3ccc(c(c3)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 35, Pg. 333, 1987.