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Substance Name: Acetic acid, (7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-ylidene)((1-oxo-2-propenyl)amino)-, methyl ester
RN: 87216-28-2
InChIKey: NOMCBTIRWGYNBF-JZJYNLBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-Cl2-N3-O3

Molecular Weight

  • 430.2893
 
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Names and Synonyms

Synonym

  • BRN 4586918

Systematic Name

  • Acetic acid, (7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-ylidene)((1-oxo-2-propenyl)amino)-, methyl ester

Registry Numbers

CAS Registry Number

  • 87216-28-2

System Generated Number

  • 0087216282

Structure Descriptors

InChI

1S/C21H17Cl2N3O3/c1-3-18(27)26-20(21(28)29-2)17-11-24-19(13-6-4-5-7-15(13)23)14-10-12(22)8-9-16(14)25-17/h3-10,25H,1,11H2,2H3,(H,26,27)/b20-17-

InChIKey

NOMCBTIRWGYNBF-JZJYNLBNSA-N

Smiles

COC(=O)/C(=C/1\CN=C(c2cc(ccc2N1)Cl)c3ccccc3Cl)/NC(=O)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Heterocyclic Chemistry. Vol. 20, Pg. 791, 1983.