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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O3
Molecular Weight 332.477
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESCARBOXYMETHYL TREPROSTINIL

SMILES

[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC3=C(C2)C(O)=CC=C3

InChI

InChIKey=UTGPMEMKMRVGNE-HUTLKBDOSA-N
InChI=1S/C21H32O3/c1-2-3-4-7-16(22)9-10-17-18-11-14-6-5-8-20(23)19(14)12-15(18)13-21(17)24/h5-6,8,15-18,21-24H,2-4,7,9-13H2,1H3/t15-,16-,17+,18-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O3
Molecular Weight 332.477
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 04:53:38 GMT 2023
Edited
by admin
on Sat Dec 16 04:53:38 GMT 2023
Record UNII
I3U17TZJ64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESCARBOXYMETHYL TREPROSTINIL
Common Name English
1H-BENZ(F)INDENE-2,5-DIOL, 2,3,3A,4,9,9A-HEXAHYDRO-1-((3S)-3-HYDROXYOCTYL)-, (1R,2R,3AS,9AS)-
Systematic Name English
(1R,2R,3AS,9AS)-2,3,3A,4,9,9A-HEXAHYDRO-L-((3S)-3-HYDROXYOCTYL)-1H-BENZ(F)INDEN-2,5-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
11174966
Created by admin on Sat Dec 16 04:53:38 GMT 2023 , Edited by admin on Sat Dec 16 04:53:38 GMT 2023
PRIMARY
CAS
101692-02-8
Created by admin on Sat Dec 16 04:53:38 GMT 2023 , Edited by admin on Sat Dec 16 04:53:38 GMT 2023
PRIMARY
FDA UNII
I3U17TZJ64
Created by admin on Sat Dec 16 04:53:38 GMT 2023 , Edited by admin on Sat Dec 16 04:53:38 GMT 2023
PRIMARY