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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20O7
Molecular Weight 348.3472
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)-3-OXO-PROPANOIC ACID

SMILES

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

InChI

InChIKey=DOJGHLHOKCCXNV-ZMYIOMMISA-N
InChI=1S/C18H20O7/c19-13-6-10-5-11-9(2-1-3-15(11)25-8-17(23)24)4-12(10)18(13)14(20)7-16(21)22/h1-3,10,12-13,18-19H,4-8H2,(H,21,22)(H,23,24)/t10-,12-,13+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20O7
Molecular Weight 348.3472
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
HPF54LEW6V
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)-3-OXO-PROPANOIC ACID
Systematic Name English
TREPROSTINIL METABOLITE HU3
Common Name English
Code System Code Type Description
PUBCHEM
156613865
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
FDA UNII
HPF54LEW6V
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
Related Record Type Details
PARENT -> METABOLITE
URINE