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Substance Name: Acetic acid, diphenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride
RN: 95133-27-0
InChIKey: YEUMQZJIZLCVTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O2.Cl-H

Molecular Weight

  • 371.905
 
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Names and Synonyms

Synonym

  • Diphenylacetic acid 4-(diethylamino)-2-butynyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95133-27-0

System Generated Number

  • 0095133270

Molecular Formulas

Molecular Formula

  • C22-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO2.ClH/c1-3-23(4-2)17-11-12-18-25-22(24)21(19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5-10,13-16,21H,3-4,17-18H2,1-2H3;1H

InChIKey

YEUMQZJIZLCVTJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 298mg/kg (298mg/kg)   Acta Pharmaceutica Suecica. Vol. 6, Pg. 349, 1969.