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Substance Name: Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester
RN: 87216-20-4
InChIKey: KOITWJUDTGYBKC-UHFFFAOYSA-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 4601625

Systematic Name

  • Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 87216-20-4

System Generated Number

  • 0087216204

Structure Descriptors

InChI

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

InChIKey

KOITWJUDTGYBKC-UHFFFAOYSA-N

Smiles

CC1C(=O)NC(=C2N1c3ccc(cc3C(=NC2)c4ccccc4Cl)Cl)C(=O)OC

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.