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Substance Name: Obeticholic acid [USAN:INN]
RN: 459789-99-2
UNII: 0462Z4S4OZ
InChIKey: ZXERDUOLZKYMJM-ZWECCWDJSA-N

Note

  • A farnesoid X receptor agonist and anticholestatic agent that is used in the treatment of chronic liver diseases.

Molecular Formula

  • C26-H44-O4

Molecular Weight

  • 420.6296
 

Classification Code

  • Treatment of Primary Biliary Cirrhosis

Names and Synonyms

Name of Substance

  • Obeticholic acid
  • Obeticholic acid [USAN:INN]

Synonyms

  • 6-ECDCA
  • 6-Ethylchenodeoxycholic acid
  • 6alpha-Ethyl-chenodeoxycholic acid
  • INT 747
  • INT-747
  • INT747
  • Obeticholic acid
  • Ocaliva
  • UNII-0462Z4S4OZ

Systematic Name

  • Cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3alpha,5beta,6alpha,7alpha)-

Registry Numbers

CAS Registry Number

  • 459789-99-2

FDA UNII

  • 0462Z4S4OZ

System Generated Number

  • 0459789992

Structure Descriptors

InChI

1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1

InChIKey

ZXERDUOLZKYMJM-ZWECCWDJSA-N

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