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Substance Name: 1H-1,4-Benzodiazepine-2-acetic acid, 2,3-dihydro-7-chloro-5-(2-fluorophenyl)-
RN: 112634-52-3
InChIKey: PAJQVVXVZXYELM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-Cl-F-N2-O2

Molecular Weight

  • 332.7606
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-7-chloro-5-(2-fluorophenyl)-1H-1,4-benzodiazepine-2-acetic acid
  • BRN 5121062

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112634-52-3

System Generated Number

  • 0112634523

Structure Descriptors

InChI

1S/C17H14ClFN2O2/c18-10-5-6-15-13(7-10)17(12-3-1-2-4-14(12)19)20-9-11(21-15)8-16(22)23/h1-7,11,21H,8-9H2,(H,22,23)

InChIKey

PAJQVVXVZXYELM-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NCC(Nc3c2cc(cc3)Cl)CC(=O)O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 775mg/kg (775mg/kg)   Journal of Heterocyclic Chemistry. Vol. 24, Pg. 683, 1987.