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Maralixibat
Maralixibat / CAS : 716313-53-0
| Appearance | - | UN | - |
| HS | - | DG Class | - |
| Synonyms | Lopixibat; Maralixibat Cation; Livmarli; 4-Aza-1-Azoniabicyclo(2.2.2)Octane, 1-((4-((4-((4R,5R)-3,3-Dibutyl-7-(Dimethylamino)-2,3,4,5-Tetrahydro-4-Hydroxy-1,1-Dioxido-1-Benzothiepin-5-yl)Phenoxy)Methyl)Phenyl)Methyl)-; Lopixibat Cation; 1-(4-((4-((4R,5R)-3,3-Dibutyl-7-(Dimethylamino)-4-Hydroxy-1,1-Dioxido-2,3,4,5-Tetrahydrobenzo[b]Thiepin-5-yl)Phenoxy)Methyl)Benzyl)-1,4-Diazabicyclo[2.2.2]Octan-1-ium; (4R,5R)-5-[4-[[4-(4-aza-1-Azoniabicyclo[2.2.2]Octan-1-Ylmethyl)Phenyl]Methoxy]Phenyl]-3,3-Dibutyl-7-(Dimethylamino)-1,1-Dioxo-4,5-Dihydro-2H-1Lambda6-Benzothiepin-4-ol; 1-{4-[4-((4R,5R)-3,3-Dibutyl-7-Dimethylamino-4-Hydroxy-1,1-Dioxo-2,3,4,5-Tetrahydro-1H-1Lambda*6*-Benzo[b]Thiepin-5-yl)-Phenoxymethyl]-Benzyl}-4-aza-1-Azonia-Bicyclo[2.2.2]Octane; Chloride; Cenerimod; Maralixibat Bromide | ||
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Properties
Summary
Formula
C40H56N3O4S+
Molecular Mass
674.95500
Exact Mass
674.39900
PSA
78.46000
Logp
7.60200
IUPAC
(4R,5R)-5-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
SMILES
CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C[N+]56CCN(CC5)CC6)CCCC
Attribute classification
Matter Classification
organic
Category
Organic Chemical Materials > Aromatic Compounds
Chemical and Physical Properties
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