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Substance Name: Acetic acid, diphenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride
RN: 95130-29-3
InChIKey: ZKCUFHBXNSNXSL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N-O2.Cl-H

Molecular Weight

  • 369.89
 
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Names and Synonyms

Synonym

  • Diphenylacetic acid 4-(1-pyrrolidinyl)-2-butynyl ester hydrochloride

Systematic Name

  • Acetic acid, diphenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 95130-29-3

System Generated Number

  • 0095130293

Molecular Formulas

Molecular Formula

  • C22-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23NO2.ClH/c24-22(25-18-10-9-17-23-15-7-8-16-23)21(19-11-3-1-4-12-19)20-13-5-2-6-14-20;/h1-6,11-14,21H,7-8,15-18H2;1H

InChIKey

ZKCUFHBXNSNXSL-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)C(OCC#CC[NH+]1CCCC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 259mg/kg (259mg/kg)   Acta Pharmaceutica Suecica. Vol. 6, Pg. 349, 1969.