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Substance Name: Phenol, m-(3-butyl-1-(p-hydroxyphenethyl)-3-pyrrolidinyl)-, hydrochloride
RN: 27452-86-4
InChIKey: IZXBSVGEPHPPMJ-UHFFFAOYSA-N

Molecular Formula

  • C22-H29-N-O2.Cl-H

Molecular Weight

  • 375.937
 
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Names and Synonyms

Synonym

  • Pyrrolidine, 3-butyl-1-(p-hydroxyphenethyl)3-(m-hydroxyphenyl)-, hydrochloride

Systematic Name

  • Phenol, m-(3-butyl-1-(p-hydroxyphenethyl)-3-pyrrolidinyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 27452-86-4

System Generated Number

  • 0027452864

Molecular Formulas

Molecular Formula

  • C22-H29-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H29-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO2.ClH/c1-2-3-12-22(19-5-4-6-21(25)16-19)13-15-23(17-22)14-11-18-7-9-20(24)10-8-18;/h4-10,16,24-25H,2-3,11-15,17H2,1H3;1H

InChIKey

IZXBSVGEPHPPMJ-UHFFFAOYSA-N

Smiles

c1([C@@]2(C[N@@](CCc3ccc(cc3)O)CC2)CCCC)cc(O)ccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 220mg/kg (220mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 930, 1972.