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Substance Name: Benzyl alcohol, alpha-methyl-alpha-(4-(3,4,5-trimethoxycinnamoyl)piperazinylmethyl)-, hydrochloride, hydrate
RN: 72004-06-9
InChIKey: PKIJNGRZEXVFDT-ASTDGNLGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N2-O5.Cl-H.H2-O

Molecular Weight

  • 476.998
 
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Names and Synonyms

  • Benzyl alcohol, alpha-methyl-alpha-(4-(3,4,5-trimethoxycinnamoyl)piperazinylmethyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 72004-06-9

System Generated Number

  • 0072004069

Molecular Formulas

Molecular Formula

  • C25-H32-N2-O5.Cl-H.H2-O

Molecular Formula Fragments

  • C25-H32-N2-O5
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H32N2O5.ClH/c1-25(29,20-8-6-5-7-9-20)18-26-12-14-27(15-13-26)23(28)11-10-19-16-21(30-2)24(32-4)22(17-19)31-3;/h5-11,16-17,29H,12-15,18H2,1-4H3;1H/b11-10+;

InChIKey

PKIJNGRZEXVFDT-ASTDGNLGSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)\C=C\C(N1CC[NH+](C[C@@](c2ccccc2)(C)O)CC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 230mg/kg (230mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 293, 1969.