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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O6
Molecular Weight 374.4275
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-

SMILES

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

InChI

InChIKey=NVTIWSLEXNPHQF-BNNKELBSSA-N
InChI=1S/C21H26O6/c22-18-11-14-10-17-13(5-4-7-19(17)27-12-21(25)26)9-16(14)15(18)6-2-1-3-8-20(23)24/h1,3-5,7,14-16,18,22H,2,6,8-12H2,(H,23,24)(H,25,26)/b3-1+/t14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26O6
Molecular Weight 374.4275
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:21:46 GMT 2023
Edited
by admin
on Sat Dec 16 00:21:46 GMT 2023
Record UNII
3PE8S99ZTG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-
Common Name English
TREPROSTINIL METABOLITE HU4
Common Name English
(E)-6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID
Systematic Name English
TREPROSTINIL METABOLITE M374
Common Name English
Code System Code Type Description
FDA UNII
3PE8S99ZTG
Created by admin on Sat Dec 16 00:21:46 GMT 2023 , Edited by admin on Sat Dec 16 00:21:46 GMT 2023
PRIMARY
PUBCHEM
91618009
Created by admin on Sat Dec 16 00:21:46 GMT 2023 , Edited by admin on Sat Dec 16 00:21:46 GMT 2023
PRIMARY
Related Record Type Details
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