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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32O4
Molecular Weight 360.4871
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ILOPROST S-ISOMER

SMILES

[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O

InChI

InChIKey=HIFJCPQKFCZDDL-ITQKTNNISA-N
InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17-,18+,19-,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H32O4
Molecular Weight 360.4871
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:26:52 UTC 2023
Edited
by admin
on Fri Dec 15 16:26:52 UTC 2023
Record UNII
45U5P0UB24
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILOPROST S-ISOMER
Common Name English
PENTANOIC ACID, 5-((3AS,4R,5R,6AS)-HEXAHYDRO-5-HYDROXY-4-((1E,3S,4S)-3-HYDROXY-4-METHYL-1-OCTEN-6-YNYL)-2(1H)-PENTALENYLIDENE)-, (5E)-
Common Name English
(5E)-5-((3AS,4R,5R,6AS)-5-HYDROXY-4-((1E,3S,4S)-3-HYDROXY-4-METHYLOCT-1-EN-6-YN-1-YL)HEXAHYDROPENTALEN-2(1H)-YLIDENE)PENTANOIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
11639089
Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023
PRIMARY
CAS
74843-14-4
Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023
PRIMARY
FDA UNII
45U5P0UB24
Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID20225814
Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT->ACTIVE ISOMER