Volixibat Potassium
potassium [(2R,3R,4S,5R,6R)-6-[[3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenyl]carbamoylamino]-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl]methyl sulfate
Molecular Identity
Volixibat Potassium
potassium [(2R,3R,4S,5R,6R)-6-[[3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenyl]carbamoylamino]-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl]methyl sulfate
PubChem CID: 89522394
2D Structure
Properties
C38H50KN3O12S2
Molecular Formula
844.00
Molecular Weight
g/mol
843.2473
Exact Mass
Da
241
TPSA
May have limited oral absorption
5
H-Bond Donors
13
H-Bond Acceptors
1460
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)NC4C(C(C(C(O4)COS(=O)(=O)[O-])O)OCC5=CC=CC=C5)O)CC.[K+]Isomeric SMILES
SMILES: CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC(=CC=C3)NC(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)[O-])O)OCC5=CC=CC=C5)O)CC.[K+]Synonyms(20)
Volixibat potassiumYWU8J6O8J0LUM002LUM-0021431935-92-0SAR-548304RefChem:194619Volixibat potassium [USAN]UNII-YWU8J6O8J0SHP626LUM 002SHP 626SAR 548304CHEMBL3707221SCHEMBL14890090
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Volixibat Potassium
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