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Substance Name: Benzoic acid, 2-((4-methoxyphenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide
RN: 195370-43-5
InChIKey: VUFNAGOGHQCUHQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N5-O4-S

Molecular Weight

  • 361.3805
 
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Names and Synonyms

Synonym

  • 2-((4-Methoxyphenyl)amino)-4-nitrobenzoic acid 2-(aminothioxomethyl)hydrazide

Systematic Name

  • Benzoic acid, 2-((4-methoxyphenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide

Registry Numbers

CAS Registry Number

  • 195370-43-5

System Generated Number

  • 0195370435

Structure Descriptors

InChI

1S/C15H15N5O4S/c1-24-11-5-2-9(3-6-11)17-13-8-10(20(22)23)4-7-12(13)14(21)18-19-15(16)25/h2-8,17H,1H3,(H,18,21)(H3,16,19,25)

InChIKey

VUFNAGOGHQCUHQ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)Nc2cc(ccc2C(=O)NNC(=S)N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 136mg/kg (136mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 764, 1996.