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Substance Name: 1,2-Propanediol, 3-(4-(3,4,5-trimethoxycinnamoyl)piperazinyl)-, hydrochloride
RN: 26219-27-2
InChIKey: YXTNNPPJMQYVKW-FXRZFVDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N2-O6.Cl-H

Molecular Weight

  • 416.899
 
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Names and Synonyms

Synonym

  • 3-(4-(3,4,5-Trimethoxycinnamoyl)piperazinyl)-1,2-propandiol hydrochloride

Systematic Name

  • 1,2-Propanediol, 3-(4-(3,4,5-trimethoxycinnamoyl)piperazinyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 26219-27-2

System Generated Number

  • 0026219272

Molecular Formulas

Molecular Formula

  • C19-H28-N2-O6.Cl-H

Molecular Formula Fragments

  • C19-H28-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28N2O6.ClH/c1-25-16-10-14(11-17(26-2)19(16)27-3)4-5-18(24)21-8-6-20(7-9-21)12-15(23)13-22;/h4-5,10-11,15,22-23H,6-9,12-13H2,1-3H3;1H/b5-4+;

InChIKey

YXTNNPPJMQYVKW-FXRZFVDSSA-N

Smiles

N1(CCN(CC1)C(\C=C\c1cc(c(c(c1)OC)OC)OC)=O)C[C@@H](CO)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 550mg/kg (550mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 293, 1969.