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Substance Name: Acetic acid, (8-chloro-3,5-dioxo-7-methoxy-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-ylidene)-, methyl ester
RN: 35514-34-2
InChIKey: CENFCAOPPUULNP-UITAMQMPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-Cl-N2-O5

Molecular Weight

  • 310.692
 
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Names and Synonyms

Synonyms

  • 5-25-09-00109 (Beilstein Handbook Reference)
  • BRN 0842049

Systematic Names

  • Acetic acid, (8-chloro-1,3,4,5-tetrahydro-7-methoxy-3,5-dioxo-2H-1,4-benzodiazepin-2-ylidene)-, methyl ester
  • Acetic acid, (8-chloro-3,5-dioxo-7-methoxy-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-ylidene)-, methyl ester

Registry Numbers

CAS Registry Number

  • 35514-34-2

System Generated Number

  • 0035514342

Structure Descriptors

InChI

1S/C13H11ClN2O5/c1-20-10-3-6-8(4-7(10)14)15-9(5-11(17)21-2)13(19)16-12(6)18/h3-5,15H,1-2H3,(H,16,18,19)/b9-5-

InChIKey

CENFCAOPPUULNP-UITAMQMPSA-N

Smiles

c12C(NC(=O)C(\Nc1cc(c(c2)OC)Cl)=C/C(=O)OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1233, 1971.