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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-(o-fluorophenyl)-1-(3-(methylamino)propyl)-, dihydrochloride, hydrate
RN: 4191-05-3
InChIKey: ANSDFYDJRIUSGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-F-N3-O.2Cl-H.H2-O

Molecular Weight

  • 434.7677
 
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Names and Synonyms

  • 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-(o-fluorophenyl)-1-(3-(methylamino)propyl)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 4191-05-3

System Generated Number

  • 0004191053

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-F-N3-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C19-H21-Cl-F-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H21ClFN3O.2ClH/c1-22-9-4-10-24-17-8-7-13(20)11-15(17)19(23-12-18(24)25)14-5-2-3-6-16(14)21;;/h2-3,5-8,11,19,22-23H,4,9-10,12H2,1H3;2*1H

InChIKey

ANSDFYDJRIUSGG-UHFFFAOYSA-N

Smiles

C[NH2+]CCCN1c2ccc(cc2C([NH2+]CC1=O)c3ccccc3F)Cl.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/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.