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Substance Name: Phenol, m-(1-(p-hydroxyphenethyl)-3-isobutyl-3-pyrrolidinyl)-, hydrochloride, hydrate
RN: 64047-90-1
InChIKey: CZFQKEYNHDJKNX-UHFFFAOYSA-N

Molecular Formula

  • C22-H29-N-O2.Cl-H.H2-O

Molecular Weight

  • 393.952
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64047-90-1

System Generated Number

  • 0064047901

Molecular Formulas

Molecular Formula

  • C22-H29-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C22-H29-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H29NO2.ClH.H2O/c1-17(2)15-22(19-4-3-5-21(25)14-19)11-13-23(16-22)12-10-18-6-8-20(24)9-7-18;;/h3-9,14,17,24-25H,10-13,15-16H2,1-2H3;1H;1H2

InChIKey

CZFQKEYNHDJKNX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 111mg/kg (111mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 930, 1972.