Products 246529-22-6

CAS 246529-22-6 appears in our catalog under these names: Aramchol, Aramchol, >95% (HPLC), Aramchol/ 98%, (3β,5β,7α,12α)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]cholan-24-oic acid, Icomidocholic acid, 99.98%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Chemat. Available pack sizes: on request, 100mg, 250mg, 25mg, 2mg, 5mg, 10mg, 50mg.

Structural formula: {0} (CAS {1})

(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 (CAS 246529-22-6) is a chemical compound with the molecular formula C44H79NO5 and a molecular weight of 702.1 g/mol. IUPAC name: (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. InChIKey: SHKXZIQNFMOPBS-OOMQYRRCSA-N.

Identity
Molecular formulaC44H79NO5
Molecular weight702.1 g/mol
IUPAC name(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
InChIKeySHKXZIQNFMOPBS-OOMQYRRCSA-N
SMILESCCCCCCCCCCCCCCCCCCCC(=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

Computed by PubChem (NCBI)