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Substance Name: 1-Piperazineethanol, 4-(2-(3-methylbutoxy)phenyl)-alpha-(((4-methyl-5-thiazolyl)oxy)methyl)-, monohydrochloride
RN: 136996-84-4
InChIKey: JHMRCMNXWDGPML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H33-N3-O3-S.Cl-H

Molecular Weight

  • 456.0476
 
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Names and Synonyms

Synonyms

  • 3-(4-o-Isopentoxyphenylpiperazin-1-yl)-1-(4-methylthiazolyl-5-oxy)propan-2-ol hydrochloride
  • B 1552

Systematic Name

  • 1-Piperazineethanol, 4-(2-(3-methylbutoxy)phenyl)-alpha-(((4-methyl-5-thiazolyl)oxy)methyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 136996-84-4

System Generated Number

  • 0136996844

Molecular Formulas

Molecular Formula

  • C22-H33-N3-O3-S.Cl-H

Molecular Formula Fragments

  • C22-H33-N3-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H33N3O3S.ClH/c1-17(2)8-13-27-21-7-5-4-6-20(21)25-11-9-24(10-12-25)14-19(26)15-28-22-18(3)23-16-29-22;/h4-7,16-17,19,26H,8-15H2,1-3H3;1H

InChIKey

JHMRCMNXWDGPML-UHFFFAOYSA-N

Smiles

Cc1c(scn1)OCC(CN2CCN(CC2)c3ccccc3OCCC(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5322846,