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Substance Name: Phenol, m-(1-(p-hydroxyphenethyl)-3-isopropyl-3-pyrrolidinyl)-, hydrochloride, hydrate
RN: 64047-91-2
InChIKey: QYJKGOZKDXEICN-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N-O2.Cl-H.H2-O

Molecular Weight

  • 379.925
 
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Names and Synonyms

Synonym

  • m-(1-(p-Hydroxyphenethyl)-3-isopropyl-3-pyrrolidinyl)phenol hydrochloride hydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64047-91-2

System Generated Number

  • 0064047912

Molecular Formulas

Molecular Formula

  • C21-H27-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C21-H27-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H27NO2.ClH.H2O/c1-16(2)21(18-4-3-5-20(24)14-18)11-13-22(15-21)12-10-17-6-8-19(23)9-7-17;;/h3-9,14,16,23-24H,10-13,15H2,1-2H3;1H;1H2

InChIKey

QYJKGOZKDXEICN-UHFFFAOYSA-N

Smiles

c1([C@@]2(CC[N@@](C2)CCc2ccc(cc2)O)C(C)C)cc(O)ccc1.O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 210mg/kg (210mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 930, 1972.