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Details

Stereochemistry MIXED
Molecular Formula C22H36O4
Molecular Weight 364.5188
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MISOPROSTOL A

SMILES

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

InChI

InChIKey=OCWJVIUDOHXKHI-PWNUKQCCSA-N
InChI=1S/C22H36O4/c1-4-5-16-22(2,25)17-10-11-18-14-15-20(23)19(18)12-8-6-7-9-13-21(24)26-3/h10-11,14-15,18-19,25H,4-9,12-13,16-17H2,1-3H3/b11-10+/t18-,19+,22?/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H36O4
Molecular Weight 364.5188
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:18 UTC 2023
Edited
by admin
on Sat Dec 16 08:35:18 UTC 2023
Record UNII
CR40KV45OJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MISOPROSTOL A
Common Name English
MISOPROSTOL IMPURITY, A-TYPE MISOPROSTOL- [USP IMPURITY]
Common Name English
A-TYPE MISOPROSTOLA
Common Name English
METHYL 7-((1R*,2S*)-2-((E)-4-HYDROXY-4-METHYLOCT-1-ENYL)-5-OXOCYCLOPENT-3-ENYL)HEPTANOATE
Systematic Name English
MISOPROSTOL IMPURITY C [EP IMPURITY]
Common Name English
10,11-DEHYDRO MISOPROSTOL
Common Name English
PROSTA-10,13-DIEN-1-OIC ACID, 16-HYDROXY-16-METHYL-9-OXO-, METHYL ESTER, (13E)-(±)-
Systematic Name English
MIXTURE OF METHYL 7-((1RS,2SR)-2-((1E,4RS)-4-HYDROXY-4-METHYLOCT-1-ENYL)-5-OXOCYCLOPENT-3-ENYL)HEPTANOATE AND METHYL 7-((1RS,2SR)-2-((1E,4SR)-4-HYDROXY-4-METHYLOCT-1-ENYL)-5-OXOCYCLOPENT-3-ENYL)HEPTANOATE
Systematic Name English
Code System Code Type Description
CAS
58682-86-3
Created by admin on Sat Dec 16 08:35:18 UTC 2023 , Edited by admin on Sat Dec 16 08:35:18 UTC 2023
PRIMARY
PUBCHEM
6443814
Created by admin on Sat Dec 16 08:35:18 UTC 2023 , Edited by admin on Sat Dec 16 08:35:18 UTC 2023
PRIMARY
FDA UNII
CR40KV45OJ
Created by admin on Sat Dec 16 08:35:18 UTC 2023 , Edited by admin on Sat Dec 16 08:35:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP