ABC00059IE

Obeticholic acid ethyl ester

Obeticholic acid ethyl ester is the C-24 ethyl ester derivative of obeticholic acid, a modified chenodeoxycholic acid and potent farnesoid X receptor (FXR) agonist. This compound features a tetracyclic steroidal nucleus bearing alpha-oriented hydroxyl groups at C-3 and C-7. The key structural modification from the parent drug is the esterification of the carboxylic acid group at the C-24 position of the side chain with an ethyl moiety. The compound maintains the characteristic stereochemistry and methyl group placement of obeticholic acid's core structure, differing solely by this specific ester functionality. It serves as an essential impurity reference standard for quality control and analytical profiling of Obeticholic acid pharmaceutical preparations.

On Request
Molecular Formula C28H48O4
Molecular Weight 448.7000
CAS Number 459789-98-1 ✓ Verified
PubChem CID 11396723 ↗
Purity 95%
Product Type API Impurity
Parent Drug Obeticholic acid
Lead Time 14 Days
IUPAC Name Ethyl (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

📝 Synonyms

459789-98-1; Ethyl 3alpha,7alpha-dihydroxy-6alpha-ethyl-5beta-cholan-24-oate; ethyl (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]pentanoate; ethyl (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate; Ethyl (3?,5?,6?,7?)-6-Ethyl-3,7-dihydroxycholan-24-oate; SCHEMBL714441; MRJRVVBCIAUGPQ-NQGMLVFVSA-N; Ethyl (3 A,5 A,6 A,7 A)-6-Ethyl-3,7-dihydroxycholan-24-oate

🔬 Chemical Identifiers

C(C)[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]2CC[C@@]3([C@H](CC[C@H]3[C@@H]2[C@@H]1O)[C@@H](CCC(=O)OCC)C)C)C)O
InChI=1S/C28H48O4/c1-6-19-23-16-18(29)12-14-28(23,5)22-13-15-27(4)20(9-10-21(27)25(22)26(19)31)17(3)8-11-24(30)32-7-2/h17-23,25-26,29,31H,6-16H2,1-5H3/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1
MRJRVVBCIAUGPQ-NQGMLVFVSA-N

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