ChemicalBook--->CAS DataBase List--->439087-18-0

439087-18-0

439087-18-0 Structure

439087-18-0 Structure
IdentificationBack Directory
[Name]

Elobixibat
[CAS]

439087-18-0
[Synonyms]

A 3309
AJG-533)
AZD-7806
Elobixibat
Elobixibat (A-3309
Elobixibat (AZD-7806)
XFLQIRAKKLNXRQ-UUWRZZSWSA-N
L-Phencynonate Hydrochloride
Glycine, (2R)-N-[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]-2-phenylglycyl-
[Molecular Formula]

C36H45N3O7S2
[MDL Number]

MFCD28386301
[MOL File]

439087-18-0.mol
[Molecular Weight]

695.89
Chemical PropertiesBack Directory
[Boiling point ]

969.6±65.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[pka]

3.20±0.10(Predicted)
[InChIKey]

XFLQIRAKKLNXRQ-UUWRZZSWSA-N
[SMILES]

C(O)(=O)CNC(=O)[C@@H](C1=CC=CC=C1)NC(COC1C=C2S(=O)(=O)CC(CCCC)(CCCC)CN(C3=CC=CC=C3)C2=CC=1SC)=O
Hazard InformationBack Directory
[Uses]

Elobixibat, 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).
Spectrum DetailBack Directory
[Spectrum Detail]

Elobixibat(439087-18-0)1HNMR
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