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Substance Name: Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide
RN: 195370-45-7
InChIKey: HTLNYQLRYTYDDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-Br-N5-O3-S

Molecular Weight

  • 410.2508
 
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Names and Synonyms

Synonym

  • 2-((3-Bromophenyl)amino)-4-nitrobenzoic acid 2-(aminothioxomethyl)hydrazide

Systematic Name

  • Benzoic acid, 2-((3-bromophenyl)amino)-4-nitro-, 2-(aminothioxomethyl)hydrazide

Registry Numbers

CAS Registry Number

  • 195370-45-7

System Generated Number

  • 0195370457

Structure Descriptors

InChI

1S/C14H12BrN5O3S/c15-8-2-1-3-9(6-8)17-12-7-10(20(22)23)4-5-11(12)13(21)18-19-14(16)24/h1-7,17H,(H,18,21)(H3,16,19,24)

InChIKey

HTLNYQLRYTYDDJ-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)Br)Nc2cc(ccc2C(=O)NNC(=S)N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 64mg/kg (64mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 764, 1996.