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Substance Name: 1-Piperazineethanol, 4-(3-chlorophenyl)-alpha-(((4-methyl-5-thiazolyl)oxy)methyl)-, monohydrochloride
RN: 136996-83-3
InChIKey: BNTDXXGWKFDXQO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-Cl-N3-O2-S.Cl-H

Molecular Weight

  • 404.3597
 
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Names and Synonyms

Synonyms

  • 3-(4-m-Chlorophenylpiperazin-1-yl)-1-(4-methylthiazolyl-5-oxy)propan-2-ol hydrochloride
  • B 1548

Systematic Name

  • 1-Piperazineethanol, 4-(3-chlorophenyl)-alpha-(((4-methyl-5-thiazolyl)oxy)methyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 136996-83-3

System Generated Number

  • 0136996833

Molecular Formulas

Molecular Formula

  • C17-H22-Cl-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H22-Cl-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22ClN3O2S.ClH/c1-13-17(24-12-19-13)23-11-16(22)10-20-5-7-21(8-6-20)15-4-2-3-14(18)9-15;/h2-4,9,12,16,22H,5-8,10-11H2,1H3;1H

InChIKey

BNTDXXGWKFDXQO-UHFFFAOYSA-N

Smiles

Cc1c(scn1)OCC(CN2CCN(CC2)c3cccc(c3)Cl)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5322846,