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Chemical structure of Obeticholic Acid

GC14158

Obeticholic Acid

Also known as (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-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

Obeticholic Acid (INT-747; 6-ECDCA; 6-Ethylchenodeoxycholic acid) is a potent, selective and orally active farnesoid X receptor(FXR) agonist with an EC50 of 99nM

ChemicalCAS459789-99-2MW420.63FormulaC26H44O4
CAS number
459789-99-2
Molecular weight
420.63
Formula
C26H44O4
Solubility
≥ 21·5mg/mL in DMSO
InChIKey
ZXERDUOLZKYMJM-ZWECCWDJSA-N
Catalogue number
GC14158
Brand
GLPBIO
Computed properties PubChem CID 447715 · XLogP 5.7 · TPSA 77.8 Ų · H-bond donors 3
XLogP
5.7
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30

SMILES CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O

Computed descriptors from PubChem (CID 447715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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