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Substance Name: 1-Propanone, 1-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-3-(4-hydroxyphenyl)-, hydrochloride
RN: 88772-45-6
InChIKey: KHJATCJGRQKJJE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O5.Cl-H

Molecular Weight

  • 449.9718
 
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Names and Synonyms

  • 1-Propanone, 1-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-3-(4-hydroxyphenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 88772-45-6

System Generated Number

  • 0088772456

Molecular Formulas

Molecular Formula

  • C24-H31-N-O5.Cl-H

Molecular Formula Fragments

  • C24-H31-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31NO5.ClH/c1-28-21-12-13-22(29-2)24(30-17-16-25-14-4-3-5-15-25)23(21)20(27)11-8-18-6-9-19(26)10-7-18;/h6-7,9-10,12-13,26H,3-5,8,11,14-17H2,1-2H3;1H

InChIKey

KHJATCJGRQKJJE-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1OC)OC)OCCN1CCCCC1)C(=O)CCc1ccc(cc1)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14mg/kg (14mg/kg)   United States Patent Document. Vol. #4732896,