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Substance Name: Benzoic acid, 4-methoxy-, 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl ester
RN: 108640-99-9
InChIKey: QZZKVUCGUUSJOL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H17-Cl-N2-O4

Molecular Weight

  • 420.8503
 
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Names and Synonyms

Synonyms

  • 1H-1,4-Benzodiazepin-3-one, 2,3-dihydro-7-chloro-5-phenyl-, P-methoxybenzoate
  • 7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl 4-methoxybenzoate

Systematic Name

  • Benzoic acid, 4-methoxy-, 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl ester

Registry Numbers

CAS Registry Number

  • 108640-99-9

System Generated Number

  • 0108640999

Structure Descriptors

InChI

1S/C23H17ClN2O4/c1-29-17-10-7-15(8-11-17)23(28)30-22-21(27)25-19-12-9-16(24)13-18(19)20(26-22)14-5-3-2-4-6-14/h2-13,22H,1H3,(H,25,27)

InChIKey

QZZKVUCGUUSJOL-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C(=O)OC2N=C(c3ccccc3)c4cc(Cl)ccc4NC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Journal of the Indian Chemical Society. Vol. 63, Pg. 425, 1986.