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439088-16-1

439088-16-1 Structure

439088-16-1 Structure
IdentificationBack Directory
[Name]

1,5-Benzothiazepin-8-ol, 3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-5-phenyl-, 1,1-dioxide
[CAS]

439088-16-1
[Synonyms]

1,5-Benzothiazepin-8-ol, 3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-5-phenyl-, 1,1-dioxide
3,3-dibutyl-8-hydroxy-7-methylthio-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine dioxide
3,3-Dibutyl-8-hydroxy-7-(methylthio)-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine 1,1-dioxide
Elobixibat Phenol ImpurityQ: What is Elobixibat Phenol Impurity Q: What is the CAS Number of Elobixibat Phenol Impurity
[Molecular Formula]

C24H33NO3S2
[MOL File]

439088-16-1.mol
[Molecular Weight]

447.65
Chemical PropertiesBack Directory
[Boiling point ]

622.7±55.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[pka]

7.78±0.40(Predicted)
[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
[InChIKey]

HXBVVCHHTCHIGN-UHFFFAOYSA-N
[SMILES]

S1(=O)(=O)C2=CC(O)=C(SC)C=C2N(C2=CC=CC=C2)CC(CCCC)(CCCC)C1
Hazard InformationBack Directory
[Uses]

3,3-Dibutyl-8-hydroxy-7-(methylthio)-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-1,1-dioxide is an intermediate of Elobixibat (E505200) which is an ileal sodium-dependent bile acid transporter ( IBAT) inhibitor, used for the treatment of chronic constipation and irritable bowel syndrome with constipation (IBS-C).
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