Chemical Compound

Volixibat

CAS Registry Number 1025216-57-2
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Volixibat chemical structure
Primary Record

Volixibat

In stock
1,264 g
Purity
98.4 %
CAS
1025216-57-2

Compound Identifiers & Properties

CAS
1025216-57-2
PubChem CID
24987688
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
Canonical SMILES
CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)N[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)[C@H]1O

Names & Synonyms

  • Volixibat
  • volixibatum
  • Volixibat [USAN:INN]
  • starbld0000127
  • VOLIXIBAT [INN]
  • VOLIXIBAT [USAN]
  • RefChem:902050
  • 1025216-57-2
  • UNII-X2JZ0451H8
  • VOLIXIBAT [WHO-DD]
  • X2JZ0451H8
  • SAR-548304 FREE ACID
  • DTXSID001098929
  • LUM002
  • orb1706477
  • CHEMBL3707222
  • SCHEMBL12196537
  • SCHEMBL29355827
  • SCHEMBL30611640
  • DTXCID901530671
  • volixibat potassium ethanolate hydrate
  • AKOS030631729
  • DB13914
  • DA-68622
  • HY-101190
  • CS-0020958
  • NS00073472
  • Q27293432
  • 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-beta-D-glucopyranosyl)-
  • 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-beta-D-glucopyranosyl]-
  • [(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 hydrogen sulfate
  • N-(3-O-benzyl-6-O-sulfo-beta-D-glucopyranosyl)-N'-{3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda6-benzothiepin-5-yl]phenyl}urea
  • ((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 hydrogen sulfate
  • [(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-1|E6-benzothiepin-5-yl]phenyl]carbamoylamino]-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl]methyl hydrogen sulfate
  • beta-D-glucopyranosylamine, 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)amino)carbonyl)-3-O-(phenylmethyl)-, 6-(hydrogen sulfate)
  • 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-beta-D-glucopyranosyl)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]-Na(2)-[3-O-(phenylmethyl)-6-O-sulfo-I(2)-D-glucopyranosyl]urea
  • 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-.BETA.-D-GLUCOPYRANOSYL)-