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Substance Name: Benzoic acid, 2,4-dichloro-, 2-(1,1'-biphenylyl)-5-(1-piperidinyl)pentyl ester, hydrochloride
RN: 119585-09-0
InChIKey: URQVGFJDGFHUPM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-Cl2-N-O2.Cl-H

Molecular Weight

  • 532.9358
 
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Names and Synonyms

Synonyms

  • 2-(1,1'-Biphenylyl)-5-(1-piperidinyl)pentyl 2,4-dichlorobenzoate hydrochloride
  • SR 44417 A

Systematic Name

  • Benzoic acid, 2,4-dichloro-, 2-(1,1'-biphenylyl)-5-(1-piperidinyl)pentyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 119585-09-0

System Generated Number

  • 0119585090

Molecular Formulas

Molecular Formula

  • C29-H31-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C29-H31-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H31Cl2NO2.ClH/c30-24-15-16-27(28(31)20-24)29(33)34-21-23(12-9-19-32-17-7-2-8-18-32)26-14-6-5-13-25(26)22-10-3-1-4-11-22;/h1,3-6,10-11,13-16,20,23H,2,7-9,12,17-19,21H2;1H

InChIKey

URQVGFJDGFHUPM-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccccc2C(CCCN3CCCCC3)COC(=O)c4ccc(cc4Cl)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,