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Substance Name: 2-Propenoic acid, 3-(4-chlorophenyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride
RN: 119585-12-5
InChIKey: XTIQCLWGBKBBSM-JRUHLWALSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-Cl-N-O2.Cl-H

Molecular Weight

  • 444.3993
 
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Names and Synonyms

Synonyms

  • 4-(Dimethylamino)-2-(1-naphthyl)butyl 4-chlorocinnamate hydrochloride
  • SR 44430 A

Systematic Name

  • 2-Propenoic acid, 3-(4-chlorophenyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 119585-12-5

System Generated Number

  • 0119585125

Molecular Formulas

Molecular Formula

  • C25-H26-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C25-H26-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H26ClNO2.ClH/c1-27(2)17-16-21(24-9-5-7-20-6-3-4-8-23(20)24)18-29-25(28)15-12-19-10-13-22(26)14-11-19;/h3-15,21H,16-18H2,1-2H3;1H/b15-12+;

InChIKey

XTIQCLWGBKBBSM-JRUHLWALSA-N

Smiles

CN(C)CCC(COC(=O)/C=C/c1ccc(cc1)Cl)c2cccc3c2cccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5089251,