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Substance Name: 1H-1,4-Benzodiazepine-2-acetic acid, 2,3-dihydro-7-chloro-5-(2-fluorophenyl)-, methyl ester
RN: 112634-51-2
InChIKey: VPKXYTSUPPXXKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Cl-F-N2-O2

Molecular Weight

  • 346.7874
 
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Names and Synonyms

Synonyms

  • 7-Chloro-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepine-2-acetic acid methyl ester
  • BRN 5134287

Systematic Name

  • 1H-1,4-Benzodiazepine-2-acetic acid, 2,3-dihydro-7-chloro-5-(2-fluorophenyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 112634-51-2

System Generated Number

  • 0112634512

Structure Descriptors

InChI

1S/C18H16ClFN2O2/c1-24-17(23)9-12-10-21-18(13-4-2-3-5-15(13)20)14-8-11(19)6-7-16(14)22-12/h2-8,12,22H,9-10H2,1H3

InChIKey

VPKXYTSUPPXXKB-UHFFFAOYSA-N

Smiles

COC(=O)CC1CN=C(c2cc(ccc2N1)Cl)c3ccccc3F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Heterocyclic Chemistry. Vol. 24, Pg. 683, 1987.