Analyte Name

3,3-Dibutyl-8-hydroxy-7-(methylthio)-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-1,1-dioxide

CAS Number

439088-16-1

Molecular Formula

C24 H33 N O3 S2

Molecular Weight

447.654

Accurate Mass

447.19

SMILES

CCCCC1(CCCC)CN(c2ccccc2)c3cc(SC)c(O)cc3S(=O)(=O)C1

InChI

InChI=1S/C24H33NO3S2/c1-4-6-13-24(14-7-5-2)17-25(19-11-9-8-10-12-19)20-15-22(29-3)21(26)16-23(20)30(27,28)18-24/h8-12,15-16,26H,4-7,13-14,17-18H2,1-3H3

IUPAC

3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1?6,5-benzothiazepin-8-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat