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Substance Name: Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester
RN: 131007-47-1
InChIKey: VEMOIQYSSIOEIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H34-N-O5-P-S

Molecular Weight

  • 515.6076
 
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Names and Synonyms

  • Phosphonic acid, ((4-(((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)amino)phenyl)methyl)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 131007-47-1

System Generated Number

  • 0131007471

Structure Descriptors

InChI

1S/C27H34NO5PS/c1-3-32-34(31,33-4-2)17-19-10-13-22(14-11-19)28-27(30)26-23-15-12-21(20-8-6-5-7-9-20)16-24(23)25(29)18-35-26/h10-16,20,26H,3-9,17-18H2,1-2H3,(H,28,30)

InChIKey

VEMOIQYSSIOEIL-UHFFFAOYSA-N

Smiles

CCOP(=O)(Cc1ccc(cc1)NC(=O)C2c3ccc(cc3C(=O)CS2)C4CCCCC4)OCC

Toxicity

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