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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O6
Molecular Weight 334.3637
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((1R,2R,3AS,9AS)-5-(CARBOXYMETHYLOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)PROPANOIC ACID

SMILES

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

InChI

InChIKey=PQQZCEVSXPZNPY-SFDCQRBFSA-N
InChI=1S/C18H22O6/c19-15-8-11-7-14-10(2-1-3-16(14)24-9-18(22)23)6-13(11)12(15)4-5-17(20)21/h1-3,11-13,15,19H,4-9H2,(H,20,21)(H,22,23)/t11-,12+,13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H22O6
Molecular Weight 334.3637
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:17:24 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:24 GMT 2023
Record UNII
YE810YV6N7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((1R,2R,3AS,9AS)-5-(CARBOXYMETHYLOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)PROPANOIC ACID
Systematic Name English
TREPROSTINIL METABOLITE HU2
Common Name English
Code System Code Type Description
FDA UNII
YE810YV6N7
Created by admin on Sat Dec 16 15:17:24 GMT 2023 , Edited by admin on Sat Dec 16 15:17:24 GMT 2023
PRIMARY
PUBCHEM
145721974
Created by admin on Sat Dec 16 15:17:24 GMT 2023 , Edited by admin on Sat Dec 16 15:17:24 GMT 2023
PRIMARY
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