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Details

Stereochemistry EPIMERIC
Molecular Formula C16H24F2O7
Molecular Weight 366.3544
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6R)-8-((1R,2R,5R)-2-(2-CARBOXYETHYL)-5-HYDROXY-3-OXO-CYCLOPENTYL)-5,5-DIFLUORO-6-HYDROXY-OCTANOIC ACID

SMILES

OC(CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCC(O)=O)C(F)(F)CCCC(O)=O

InChI

InChIKey=UNGXSHHHKITVHD-RUPPFBPSSA-N
InChI=1S/C16H24F2O7/c17-16(18,7-1-2-14(22)23)13(21)5-3-9-10(4-6-15(24)25)12(20)8-11(9)19/h9-11,13,19,21H,1-8H2,(H,22,23)(H,24,25)/t9-,10-,11-,13?/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H24F2O7
Molecular Weight 366.3544
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:12:31 UTC 2023
Edited
by admin
on Sat Dec 16 15:12:31 UTC 2023
Record UNII
D7QS5G4WPC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R)-8-((1R,2R,5R)-2-(2-CARBOXYETHYL)-5-HYDROXY-3-OXO-CYCLOPENTYL)-5,5-DIFLUORO-6-HYDROXY-OCTANOIC ACID
Systematic Name English
CYCLOPENTANEOCTANOIC ACID, 2-(2-CARBOXYETHYL)-.DELTA.,.DELTA.-DIFLUORO-.EPSILON.,5-DIHYDROXY-3-OXO-, (1R,2R,5R)-REL-
Systematic Name English
LUBIPROSTONE METABOLITE M14
Common Name English
Code System Code Type Description
PUBCHEM
71316243
Created by admin on Sat Dec 16 15:12:31 UTC 2023 , Edited by admin on Sat Dec 16 15:12:31 UTC 2023
PRIMARY
CAS
1246812-13-4
Created by admin on Sat Dec 16 15:12:31 UTC 2023 , Edited by admin on Sat Dec 16 15:12:31 UTC 2023
PRIMARY
FDA UNII
D7QS5G4WPC
Created by admin on Sat Dec 16 15:12:31 UTC 2023 , Edited by admin on Sat Dec 16 15:12:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA