Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)-, hydrochloride (1:2)
RN: 4196-18-3
InChIKey: QCJXYVJHRXGBMA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C19-H19-Cl-F-N3-O.2Cl-H

Molecular Weight

  • 432.7519
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 4196-18-3

System Generated Number

  • 0004196183

Molecular Formulas

Molecular Formula

  • C19-H19-Cl-F-N3-O.2Cl-H

Molecular Formula Fragments

  • C19-H19-Cl-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19ClFN3O.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;;/h2-3,5-8,11,22H,4,9-10,12H2,1H3;2*1H

InChIKey

QCJXYVJHRXGBMA-UHFFFAOYSA-N

Smiles

CNCCCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/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.