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Substance Name: Phenol, m-(1-(p-aminophenethyl)-3-(2-methylpropyl)-3-pyrrolidinyl)-, dihydrochloride, sesquihydrate
RN: 63957-42-6
InChIKey: UGTIKSYRXJAXGJ-UHFFFAOYSA-N

Molecular Formula

  • C22-H30-N2-O.2Cl-H.3/2H2-O

Molecular Weight

  • 876.872
 
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Names and Synonyms

  • Phenol, m-(1-(p-aminophenethyl)-3-(2-methylpropyl)-3-pyrrolidinyl)-, dihydrochloride, sesquihydrate

Registry Numbers

CAS Registry Number

  • 63957-42-6

System Generated Number

  • 0063957426

Molecular Formulas

Molecular Formula

  • C22-H30-N2-O.2Cl-H.3/2H2-O

Molecular Formula Fragments

  • C22-H30-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C22H30N2O.4ClH.3H2O/c2*1-17(2)15-22(19-4-3-5-21(25)14-19)11-13-24(16-22)12-10-18-6-8-20(23)9-7-18;;;;;;;/h2*3-9,14,17,25H,10-13,15-16,23H2,1-2H3;4*1H;3*1H2

InChIKey

UGTIKSYRXJAXGJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 42mg/kg (42mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 930, 1972.