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Substance Name: 1-Piperazineethanol, alpha-(((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)methyl)-4-phenyl-
RN: 153804-61-6
InChIKey: KPWMFZVTFWHFOI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2-S

Molecular Weight

  • 384.5412
 
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Names and Synonyms

Synonyms

  • 8-((2-Hydroxy-3-(4-phenylpiperazin-1-yl)propyl)oxy)thiochroman
  • alpha-(((3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy)methyl)-4-phenyl-1-piperazineethanol

Systematic Name

  • 1-Piperazineethanol, alpha-(((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)methyl)-4-phenyl-

Registry Numbers

CAS Registry Number

  • 153804-61-6

System Generated Number

  • 0153804616

Structure Descriptors

InChI

1S/C22H28N2O2S/c25-20(17-26-21-10-4-6-18-7-5-15-27-22(18)21)16-23-11-13-24(14-12-23)19-8-2-1-3-9-19/h1-4,6,8-10,20,25H,5,7,11-17H2

InChIKey

KPWMFZVTFWHFOI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2CCN(CC2)CC(COc3cccc4c3SCCC4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5389668,