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Substance Name: Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (4-bromo-3-nitro-alpha-methylbenzylidene)hydrazide
RN: 107045-06-7
InChIKey: LQMFVLCHBYZDRK-HRWCDONUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-Br-N5-O5

Molecular Weight

  • 500.3072
 
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Names and Synonyms

Synonym

  • BRN 5665262

Systematic Name

  • Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (4-bromo-3-nitro-alpha-methylbenzylidene)hydrazide

Registry Numbers

CAS Registry Number

  • 107045-06-7

System Generated Number

  • 0107045067

Structure Descriptors

InChI

1S/C21H18BrN5O5/c1-12(15-5-8-18(22)19(10-15)27(30)31)23-25-20(28)11-32-16-6-3-14(4-7-16)9-17-13(2)24-26-21(17)29/h3-10H,11H2,1-2H3,(H,25,28)(H,26,29)/b17-9-,23-12+

InChIKey

LQMFVLCHBYZDRK-HRWCDONUSA-N

Smiles

CC\1=NNC(=O)/C1=C\c2ccc(cc2)OCC(=O)N/N=C(\C)/c3ccc(c(c3)[N+](=O)[O-])Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg) BEHAVIORAL: EXCITEMENT Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 25, Pg. 339, 1986.