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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O5
Molecular Weight 418.5662
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TREPROSTINIL ETHYL ESTER

SMILES

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

InChI

InChIKey=PBMHCIQUGUOGFB-KHYDEXNFSA-N
InChI=1S/C25H38O5/c1-3-5-6-9-19(26)11-12-20-21-13-17-8-7-10-24(30-16-25(28)29-4-2)22(17)14-18(21)15-23(20)27/h7-8,10,18-21,23,26-27H,3-6,9,11-16H2,1-2H3/t18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H38O5
Molecular Weight 418.5662
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:16:20 UTC 2023
Edited
by admin
on Sat Dec 16 18:16:20 UTC 2023
Record UNII
T9FM9PQ955
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TREPROSTINIL ETHYL ESTER
Common Name English
ETHYL 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)ACETATE
Systematic Name English
Code System Code Type Description
PUBCHEM
86705135
Created by admin on Sat Dec 16 18:16:20 UTC 2023 , Edited by admin on Sat Dec 16 18:16:20 UTC 2023
PRIMARY
FDA UNII
T9FM9PQ955
Created by admin on Sat Dec 16 18:16:20 UTC 2023 , Edited by admin on Sat Dec 16 18:16:20 UTC 2023
PRIMARY
CAS
1355990-07-6
Created by admin on Sat Dec 16 18:16:20 UTC 2023 , Edited by admin on Sat Dec 16 18:16:20 UTC 2023
PRIMARY