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Substance Name: Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride
RN: 119585-08-9
InChIKey: JPHOASQVODKAON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H24-F3-N-O2.Cl-H

Molecular Weight

  • 451.9135
 
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Names and Synonyms

Synonym

  • SR 44385 A

Systematic Name

  • Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 119585-08-9

System Generated Number

  • 0119585089

Molecular Formulas

Molecular Formula

  • C24-H24-F3-N-O2.Cl-H

Molecular Formula Fragments

  • C24-H24-F3-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H24F3NO2.ClH/c1-28(2)14-13-19(22-12-6-8-17-7-3-4-11-21(17)22)16-30-23(29)18-9-5-10-20(15-18)24(25,26)27;/h3-12,15,19H,13-14,16H2,1-2H3;1H

InChIKey

JPHOASQVODKAON-UHFFFAOYSA-N

Smiles

CN(C)CCC(COC(=O)c1cccc(c1)C(F)(F)F)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,