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Substance Name: 1-Piperazineethanol, 4-(2-(2,2-dimethylpropoxy)phenyl)-alpha-(((4-methyl-5-thiazolyl)oxy)methyl)-, monohydrochloride
RN: 136996-85-5
InChIKey: CDXUIUPDJOOXIS-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-Neopentoxyphenylpiperazin-1-yl)-1-(4-methylthiazolyl-5-oxy)propan-2-ol hydrochloride
  • B 1562

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 136996-85-5

System Generated Number

  • 0136996855

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

InChIKey

CDXUIUPDJOOXIS-UHFFFAOYSA-N

Smiles

Cc1c(scn1)OCC(CN2CCN(CC2)c3ccccc3OCC(C)(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,