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Substance Name: Volixibat potassium monoethanolate monohydrate
RN: 1351444-01-3
UNII: 17D5LDM09J
InChIKey: RZVOGBCISVYZAK-CMTWHQOSSA-M

Molecular Formula

  • C38-H50-N3-O12-S2.C2-H6-O.K.H2-O

Molecular Weight

  • 908.1352
 
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Names and Synonyms

Name of Substance

  • Volixibat potassium monoethanolate monohydrate

Synonyms

  • UNII-17D5LDM09J
  • 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)-, potassium salt, compd. with ethanol, hydrate (1:1:1:1)
  • Volixibat potassium monoethanolate monohydrate

Registry Numbers

CAS Registry Number

  • 1351444-01-3

FDA UNII

  • 17D5LDM09J

System Generated Number

  • 1351444013

Structure Descriptors

InChI

1S/C38H51N3O12S2.C2H6O.K.H2O/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50;1-2-3;;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);3H,2H2,1H3;;1H2/q;;+1;/p-1/t29-,31-,32-,33-,34+,35-,36-,38-;;;/m1.../s1

InChIKey

RZVOGBCISVYZAK-CMTWHQOSSA-M

Smiles

CCCC[C@@]1(CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c3cccc(c3)NC(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)[O-])O)OCc5ccccc5)O)N(C)C)CC.CCO.O.[K+]