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Substance Name: p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)
RN: 3601-83-0
InChIKey: NEJSHLSJMMAVQZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N4-O2.2Cl-H.1/2H2-O

Molecular Weight

  • 373.282
 
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Names and Synonyms

Synonyms

  • 1-(3-Methoxy-4-hydroxybenzyl)-4-(2-pyrimidyl)-piperazine hydrochloride hydrate
  • 2-Methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-p-cresol hydrochloride hydrate (2:4:1)

Systematic Name

  • p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 3601-83-0

System Generated Number

  • 0003601830

Molecular Formulas

Molecular Formula

  • C16-H20-N4-O2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C16-H20-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H20N4O2.2ClH/c1-22-15-11-13(3-4-14(15)21)12-19-7-9-20(10-8-19)16-17-5-2-6-18-16;;/h2-6,11,21H,7-10,12H2,1H3;2*1H

InChIKey

NEJSHLSJMMAVQZ-UHFFFAOYSA-N

Smiles

N1(c2ncccn2)CCN(Cc2cc(c(O)cc2)OC)CC1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1151, 1968.