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Details

Stereochemistry MIXED
Molecular Formula C22H38O5
Molecular Weight 382.5341
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 12-EPIMISOPROSTOL

SMILES

CCCCC(C)(O)C\C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC

InChI

InChIKey=OJLOPKGSLYJEMD-VSEFTTKASA-N
InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18+,20-,22?/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H38O5
Molecular Weight 382.5341
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:06 UTC 2023
Edited
by admin
on Sat Dec 16 08:29:06 UTC 2023
Record UNII
5ZIA0384U5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
12-EPIMISOPROSTOL
Common Name English
MISOPROSTOL IMPURITY B [EP IMPURITY]
Common Name English
MISOPROSTOL IMPURITY, 12-EPIMISOPROSTOL- [USP IMPURITY]
Common Name English
METHYL 7-((1RS,2SR,3RS)-3-HYDROXY-2-((1E,4RS)-4-HYDROXY-4-METHYLOCT-1-ENYL)-5-OXOCYCLOPENTYL)HEPTANOATE AND METHYL 7-((1RS,2SR,3RS)-3-HYDROXY-2-((1E,4SR)-4-HYDROXY-4-METHYLOCT-1-ENYL)-5-OXOCYCLOPENTYL)HEPTANOATE
Systematic Name English
METHYL (1S*,2R*,3S*)-3-HYDROXY-2-((E)-4-HYDROXY-4-METHYL-1-OCTENYL)-5-OXOCYCLOPENTANEHEPTANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
5ZIA0384U5
Created by admin on Sat Dec 16 08:29:06 UTC 2023 , Edited by admin on Sat Dec 16 08:29:06 UTC 2023
PRIMARY
PUBCHEM
118876484
Created by admin on Sat Dec 16 08:29:06 UTC 2023 , Edited by admin on Sat Dec 16 08:29:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
12-Epimisoprostol consists of two diastereomers that are separated under these conditions; integrate both peaks together for the impurity calculations
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP