Linerixibat
3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid
Molecular Identity
Linerixibat
3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid
PubChem CID: 53492727
2D Structure
Properties
C28H38N2O7S
Molecular Formula
546.70
Molecular Weight
g/mol
546.2400
Exact Mass
Da
-1.6
XLogP
Drug-like (Lipinski: < 5)
150
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
870
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Linerixibat1345982-69-5GSK2330672GSK-2330672386012Z45SPentanedioic acid, 3-((((3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl)amino)-linerixibatumRefChem:1535303-((((3R,5R)-3-BUTYL-3-ETHYL-7-METHOXY-1,1-DIOXO-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-1LAMBDA6,4-BENZOTHIAZEPIN-8-YL)METHYL)AMINO)PENTANEDIOIC ACID3-((((3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1lambda6,4-benzothiazepin-8-yl)methyl)amino)pentanedioic acidIinerixibatLinerixibat [USAN]CHEMBL2387408MFCD28386358GSK 2330672
Data from PubChem (NCBI)
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