((2R,3R,4S,5R,6R)-4-(Benzyloxy)-6-(3-(3-((3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenyl)ureido)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate

Catalog No. :
ACIUVJ900
CAS No. :
1025216-57-2
Molecular Formula :
C38H51N3O12S2
Molecular Weight :
805.97

IUPAC Name:((2R,3R,4S,5R,6R)-4-(benzyloxy)-6-(3-(3-((3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenyl)ureido)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate

((2R,3R,4S,5R,6R)-4-(Benzyloxy)-6-(3-(3-((3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenyl)ureido)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate structure diagram
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Product Information

Product Name((2R,3R,4S,5R,6R)-4-(Benzyloxy)-6-(3-(3-((3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenyl)ureido)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate
IUPAC Name((2R,3R,4S,5R,6R)-4-(benzyloxy)-6-(3-(3-((3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenyl)ureido)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate
Molecular FormulaC38H51N3O12S2
Molecular Weight805.97
SMILESO=S(O)(OC[C@@H]1[C@@H](O)[C@H](OCC2=CC=CC=C2)[C@@H](O)[C@H](NC(NC3=CC=CC([C@@H]([C@@H](O)[C@](CC)(CCCC)C4)C5=CC(N(C)C)=CC=C5S4(=O)=O)=C3)=O)O1)=O
InChI KeyULVBLFBUTQMAGZ-RTNCXNSASA-N
SynonymVolixibat | 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)- | VOLIXIBAT [WHO-DD] | Urea, N-[3-[(3S,4R,5R)-3-butyl-7-(d
CAS No.1025216-57-2
PubChem CID24987688

Synthetic Route by SureRoute

1. ACIUVJ900 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACIUVJ900 route product structure diagram
    ACIUVJ9001025216-57-2
Inquiry

2. ACIUVJ900 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACIUVJ900 route product structure diagram
    ACIUVJ9001025216-57-2
Inquiry

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