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Substance Name: Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-
RN: 131007-43-7
InChIKey: IXWLEFJPCSXQCQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-F-N2-O2-S

Molecular Weight

  • 452.5911
 
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Names and Synonyms

  • Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 131007-43-7

System Generated Number

  • 0131007437

Structure Descriptors

InChI

1S/C26H29FN2O2S/c27-20-7-9-21(10-8-20)28-12-14-29(15-13-28)26(31)25-22-11-6-19(18-4-2-1-3-5-18)16-23(22)24(30)17-32-25/h6-11,16,18,25H,1-5,12-15,17H2

InChIKey

IXWLEFJPCSXQCQ-UHFFFAOYSA-N

Smiles

c1cc(ccc1N2CCN(CC2)C(=O)C3c4ccc(cc4C(=O)CS3)C5CCCCC5)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5071841,