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Substance Name: Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-4-(3-(trifluoromethyl)phenyl)-
RN: 153804-25-2
InChIKey: QMNBNTPZJWWDKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-F3-N2-O-S

Molecular Weight

  • 450.5661
 
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Names and Synonyms

Synonym

  • 8-((4-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)butyl)oxy)thiochroman

Systematic Name

  • Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-4-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 153804-25-2

System Generated Number

  • 0153804252

Structure Descriptors

InChI

1S/C24H29F3N2OS/c25-24(26,27)20-8-4-9-21(18-20)29-14-12-28(13-15-29)11-1-2-16-30-22-10-3-6-19-7-5-17-31-23(19)22/h3-4,6,8-10,18H,1-2,5,7,11-17H2

InChIKey

QMNBNTPZJWWDKE-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)N2CCN(CC2)CCCCOc3cccc4c3SCCC4)C(F)(F)F

Toxicity

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