Aramchol meglumine
(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Molecular Identity
Aramchol meglumine
(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
PubChem CID: 91801223
2D Structure
Properties
C51H96N2O10
Molecular Formula
897.30
Molecular Weight
g/mol
896.7065
Exact Mass
Da
220
TPSA
May have limited oral absorption
10
H-Bond Donors
11
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)NC1CCC2(C(C1)CC(C3C2CC(C4(C3CCC4C(C)CCC(=O)O)C)O)O)C.CNCC(C(C(C(CO)O)O)O)OIsomeric SMILES
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)OSynonyms(5)
Aramchol meglumine5Y5YPN6GAECHEMBL60685071791420-64-8Cholan-24-oic acid, 7,12-dihydroxy-3-[(1-oxoeicosyl)amino]-, (3beta,5beta,7alpha,12alpha)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aramchol meglumine
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