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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(1-piperazinyl)propyl)-, hydrochloride
RN: 1057-13-2
InChIKey: BLCXTJIOJVGBHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Cl-F-N4-O.Cl-H

Molecular Weight

  • 451.3705
 
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Names and Synonyms

  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(1-piperazinyl)propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1057-13-2

System Generated Number

  • 0001057132

Molecular Formulas

Molecular Formula

  • C22-H24-Cl-F-N4-O.Cl-H

Molecular Formula Fragments

  • C22-H24-Cl-F-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24ClFN4O.ClH/c23-16-6-7-20-18(14-16)22(17-4-1-2-5-19(17)24)26-15-21(29)28(20)11-3-10-27-12-8-25-9-13-27;/h1-2,4-7,14,25H,3,8-13,15H2;1H

InChIKey

BLCXTJIOJVGBHB-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CCCN4CCNCC4)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANTICONVULSANT
Journal of Medicinal Chemistry. Vol. 8, Pg. 815, 1965.