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Substance Name: Acetic acid, 2-benzyloxy-2,2-diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride
RN: 3212-45-1
InChIKey: KHZOVTCGYKJECR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-N-O3.Cl-H

Molecular Weight

  • 451.991
 
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Names and Synonyms

Synonym

  • 2-Benzyloxy-2,2-diphenylacetic acid (1-methyl-2-pyrrolidinyl)methyl ester hydrochloride

Systematic Names

  • Acetic acid, (benzyloxy)diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride
  • Acetic acid, 2-benzyloxy-2,2-diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3212-45-1

System Generated Number

  • 0003212451

Molecular Formulas

Molecular Formula

  • C27-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C27-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29NO3.ClH/c1-28-19-11-18-25(28)21-30-26(29)27(23-14-7-3-8-15-23,24-16-9-4-10-17-24)31-20-22-12-5-2-6-13-22;/h2-10,12-17,25H,11,18-21H2,1H3;1H

InChIKey

KHZOVTCGYKJECR-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OC[C@@H]1[N@@H+](CCC1)C)=O)OCc1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 571, 1965.