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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H40O5
Molecular Weight 396.5607
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PIMILPROST

SMILES

[H][C@@]12C[C@@H](CCOCC(=O)OC)C[C@]1([H])[C@@H](\C=C\[C@@H](O)C[C@@H](C)CCCC)[C@H](O)C2

InChI

InChIKey=SLDLSMFNGFIPNI-RXYUHBJGSA-N
InChI=1S/C23H40O5/c1-4-5-6-16(2)11-19(24)7-8-20-21-13-17(12-18(21)14-22(20)25)9-10-28-15-23(26)27-3/h7-8,16-22,24-25H,4-6,9-15H2,1-3H3/b8-7+/t16-,17+,18-,19+,20+,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H40O5
Molecular Weight 396.5607
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:36:17 UTC 2023
Edited
by admin
on Fri Dec 15 15:36:17 UTC 2023
Record UNII
O316O1ZGEG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIMILPROST
INN   JAN  
INN  
Official Name English
(+)-METHYL (2-((2R,3AS,4R,5-R,6AS)-OCTAHYDRO-5-HYDROXY-4-((1E,3S,5S)-3-HYDROXY-5-METHYL-1-NONENYL)-2-PENTALENYL)ETHOXY)ACETATE
Common Name English
PIMILPROST [JAN]
Common Name English
SM-10902
Code English
SM10902
Code English
pimilprost [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78568
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
Code System Code Type Description
INN
7248
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
EVMPD
SUB09843MIG
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID301103361
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
CAS
139403-31-9
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
PUBCHEM
5282140
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
NCI_THESAURUS
C76902
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106962
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
SMS_ID
100000081973
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
FDA UNII
O316O1ZGEG
Created by admin on Fri Dec 15 15:36:17 UTC 2023 , Edited by admin on Fri Dec 15 15:36:17 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY