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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(o-fluorophenyl)-, dihydrochloride
RN: 1972-74-3
InChIKey: XNKXLMDFIPIZOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-F-N3-O.2Cl-H

Molecular Weight

  • 462.8213
 
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Names and Synonyms

  • 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(o-fluorophenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 1972-74-3

System Generated Number

  • 0001972743

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-F-N3-O.2Cl-H

Molecular Formula Fragments

  • C21-H25-Cl-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClFN3O.2ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;;/h5-10,13,21,24H,3-4,11-12,14H2,1-2H3;2*1H

InChIKey

XNKXLMDFIPIZOB-UHFFFAOYSA-N

Smiles

CC[NH+](CC)CCN1c2ccc(cc2C([NH2+]CC1=O)c3ccccc3F)Cl.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 305mg/kg (305mg/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.