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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35NO5S
Molecular Weight 473.625
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGANEPAG ETHANEDIOL

SMILES

CCCCC[C@H](O)C1=CC=C(C=C1)N2[C@@H](CCCC3=CC=C(S3)C(=O)OCCO)CCC2=O

InChI

InChIKey=VTFVKRFGCDQSBY-REWPJTCUSA-N
InChI=1S/C26H35NO5S/c1-2-3-4-8-23(29)19-9-11-21(12-10-19)27-20(13-16-25(27)30)6-5-7-22-14-15-24(33-22)26(31)32-18-17-28/h9-12,14-15,20,23,28-29H,2-8,13,16-18H2,1H3/t20-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H35NO5S
Molecular Weight 473.625
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Prostaglandin analogues and nitric oxide contribution in the treatment of ocular hypertension and glaucoma.
2019-04
Patents

Sample Use Guides

Aganepag (Compound 3) is a potent Prostanoid EP2 receptor agonist, with an EC50 of 0.19 nM
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:42:45 GMT 2025
Edited
by admin
on Mon Mar 31 19:42:45 GMT 2025
Record UNII
J7L0ZSN36Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGN-212409
Preferred Name English
AGANEPAG ETHANEDIOL
USAN   WHO-DD  
USAN  
Official Name English
Aganepag ethanediol [WHO-DD]
Common Name English
AGANEPAG ETHANEDIOL [USAN]
Common Name English
2-HYDROXYETHYL 5-(3-((2S)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXOPYRROLIDIN-2- YL)PROPYL)THIOPHENE-2-CARBOXYLATE
Systematic Name English
2-THIOPHENECARBOXYLIC ACID, 5-(3-((2S)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXO-2- PYRROLIDINYL)PROPYL)-, 2-HYDROXYETHYL ESTER
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29705
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
Code System Code Type Description
ChEMBL
CHEMBL2105713
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
PRIMARY
CAS
1192760-33-0
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
PRIMARY
FDA UNII
J7L0ZSN36Y
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
PRIMARY
SMS_ID
300000044536
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
PRIMARY
USAN
YY-26
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
PRIMARY
PUBCHEM
44469606
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
PRIMARY
NCI_THESAURUS
C142903
Created by admin on Mon Mar 31 19:42:45 GMT 2025 , Edited by admin on Mon Mar 31 19:42:45 GMT 2025
PRIMARY
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METABOLITE ACTIVE -> PRODRUG
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ACTIVE MOIETY