U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H36O5
Molecular Weight 404.5396
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TREPRESTINIL METHYL ESTER

SMILES

[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC3=CC=CC(OCC(=O)OC)=C3C2

InChI

InChIKey=AMLGYPBESXMWIK-SXFAUFNYSA-N
InChI=1S/C24H36O5/c1-3-4-5-8-18(25)10-11-19-20-12-16-7-6-9-23(29-15-24(27)28-2)21(16)13-17(20)14-22(19)26/h6-7,9,17-20,22,25-26H,3-5,8,10-15H2,1-2H3/t17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TREPRESTINIL METHYL ESTER
Common Name English
ACETIC ACID, 2-(((1R,2R,3AS,9AS)-2,3,3A,4,9,9A-HEXAHYDRO-2-HYDROXY-1-((3S)-3-HYDROXYOCTYL)-1H-BENZ(F)INDEN-5-YL)OXY)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
59733180
Created by admin on Sat Dec 16 18:20:31 UTC 2023 , Edited by admin on Sat Dec 16 18:20:31 UTC 2023
PRIMARY
CAS
81845-98-9
Created by admin on Sat Dec 16 18:20:31 UTC 2023 , Edited by admin on Sat Dec 16 18:20:31 UTC 2023
PRIMARY
FDA UNII
67K59PC7YH
Created by admin on Sat Dec 16 18:20:31 UTC 2023 , Edited by admin on Sat Dec 16 18:20:31 UTC 2023
PRIMARY