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Chemical structure of Aramchol

GC19435

Aramchol

Also known as (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

Aramchol, also known as arachidyl amido cholanoic acid, is a conjugate of arachidic acid and cholic acid

ChemicalCAS246529-22-6MW702.1FormulaC44H79NO5
CAS number
246529-22-6
Molecular weight
702.1
Formula
C44H79NO5
Solubility
DMF： 30 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 20 mg/ml,Ethanol： 20 mg/ml
InChIKey
SHKXZIQNFMOPBS-OOMQYRRCSA-N
Catalogue number
GC19435
Brand
GLPBIO
Computed properties PubChem CID 18738120 · XLogP 13.1 · TPSA 107 Ų · H-bond donors 4
XLogP
13.1
TPSA
107 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
23
Heavy atoms
50

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

Computed descriptors from PubChem (CID 18738120), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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