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Substance Name: 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
RN: 57462-72-3
InChIKey: UTFIRRFOXCAWPG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-Cl-N2-O2.Cl-H

Molecular Weight

  • 393.3118
 
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Names and Synonyms

Synonym

  • 6-Chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-2H-1,4-benzoxazin-3(4H)-one monohydrochloride

Systematic Name

  • 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-phenyl-4-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 57462-72-3

System Generated Number

  • 0057462723

Molecular Formulas

Molecular Formula

  • C20-H21-Cl-N2-O2.Cl-H

Molecular Formula Fragments

  • C20-H21-Cl-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21ClN2O2.ClH/c21-16-8-9-18-17(14-16)23(13-12-22-10-4-5-11-22)20(24)19(25-18)15-6-2-1-3-7-15;/h1-3,6-9,14,19H,4-5,10-13H2;1H

InChIKey

UTFIRRFOXCAWPG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2C(=O)N(c3cc(ccc3O2)Cl)CCN4CCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 750mg/kg (750mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 37, 1975.