Misoprostol, S-isomer

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OJLOPKGSLYJEMD-YCVNZHGXSA-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	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:33:14 GMT 2025` Edited by `admin` on `Wed Apr 02 18:33:14 GMT 2025`
Record UNII	55DV34K57L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Misoprostol, S-isomer

Common Name

English

SC-30249

Preferred Name

English

Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11?,13E,16S)-

Systematic Name

English

Methyl (11?,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80860740

Created by admin on Wed Apr 02 18:33:14 GMT 2025 , Edited by admin on Wed Apr 02 18:33:14 GMT 2025

PRIMARY

FDA UNII

55DV34K57L

Created by admin on Wed Apr 02 18:33:14 GMT 2025 , Edited by admin on Wed Apr 02 18:33:14 GMT 2025

PRIMARY

PUBCHEM

9886273

Created by admin on Wed Apr 02 18:33:14 GMT 2025 , Edited by admin on Wed Apr 02 18:33:14 GMT 2025

PRIMARY

CAS

59122-49-5

Created by admin on Wed Apr 02 18:33:14 GMT 2025 , Edited by admin on Wed Apr 02 18:33:14 GMT 2025

PRIMARY