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Substance Name: Benzoic acid, 4-chloro-, 2-(1-naphthalenyl)-4-(1-piperidinyl)butyl ester, hydrochloride
RN: 119585-01-2
InChIKey: VYXQUQNXWICQMV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-Cl-N-O2.Cl-H

Molecular Weight

  • 458.4261
 
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Names and Synonyms

Synonyms

  • 2-(1-Naphthalenyl)-4-(1-piperidinyl)butyl 4-chlorobenzoate hydrochloride
  • SR 44149 A

Systematic Name

  • Benzoic acid, 4-chloro-, 2-(1-naphthalenyl)-4-(1-piperidinyl)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 119585-01-2

System Generated Number

  • 0119585012

Molecular Formulas

Molecular Formula

  • C26-H28-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C26-H28-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H28ClNO2.ClH/c27-23-13-11-21(12-14-23)26(29)30-19-22(15-18-28-16-4-1-5-17-28)25-10-6-8-20-7-2-3-9-24(20)25;/h2-3,6-14,22H,1,4-5,15-19H2;1H

InChIKey

VYXQUQNXWICQMV-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)cccc2C(CCN3CCCCC3)COC(=O)c4ccc(cc4)Cl.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,