Primary Record
Volixibat
- In stock
- 1,264 g
- Purity
- 98.4 %
- CAS
- 1025216-57-2
Compound Identifiers & Properties
- CAS
- 1025216-57-2
- PubChem CID
- 145705994
- SMILES
- CCCC[C@@]1(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.CCO.O.[K+]
- Canonical SMILES
- CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(=O)NC3OC(COS(=O)(=O)[O-])C(O)C(OCc4ccccc4)C3O)c2)C1O.CCO.O.[K+]
Names & Synonyms
- Volixibat
- SCHEMBL29377119
- SHP-626
- 1025216-57-2
- 1351444-01-3
- Urea, N-[3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-2,3,4,5-tetrahydro-4-hydroxy-1,1-dioxido-1-benzothiepin-5-yl]phenyl]-N'-[3-O-(phenylmethyl)- 6-O-sulfo-b-D-glucopyranosyl]-, potassium salt, compd. with ethanol, hydrate (1:1:1:1);Urea, N-[3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-2,3,4,5-tetrahydro-4-hydroxy-1,1-dioxido-1-benzothiepin-5-yl]phenyl]-N'-[3-O-(phenylmethyl)- 6-O-sulfo-b-D-glucopyranosyl]-, potassium salt, compd. with ethanol, hydrate (1:1:1:1)