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Substance Name: ID 622
RN: 33691-06-4
InChIKey: JHSVIYYVRLIPDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Cl-F-N2-O3-S

Molecular Weight

  • 394.8524
 
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Names and Synonyms

Name of Substance

  • ID 622

Synonyms

  • 5-24-04-00328 (Beilstein Handbook Reference)
  • BRN 0902484
  • ID-622

Systematic Names

  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(2-(methylsulfonyl)ethyl)-
  • 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-(methylsulfonyl)ethyl)-2H-1,4-benzodiazepin-2-one

Registry Numbers

CAS Registry Number

  • 33691-06-4

System Generated Number

  • 0033691064

Structure Descriptors

InChI

1S/C18H16ClFN2O3S/c1-26(24,25)9-8-22-16-7-6-12(19)10-14(16)18(21-11-17(22)23)13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3

InChIKey

JHSVIYYVRLIPDK-UHFFFAOYSA-N

Smiles

CS(=O)(=O)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1350mg/kg (1350mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 534, 1975.
mouse LD50 oral 2700mg/kg (2700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 534, 1975.
mouse LD50 subcutaneous 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 534, 1975.