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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H20O3
Molecular Weight 380.4352
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PH-46 ketone metabolite

SMILES

OC(=O)C1=CC=C(C[C@]2(CC3=C(C=CC=C3)C2=O)C4=CC5=CC=CC=C5C4)C=C1

InChI

InChIKey=HJDIMWYYOZHFOL-SANMLTNESA-N
InChI=1S/C26H20O3/c27-24-23-8-4-3-7-21(23)16-26(24,15-17-9-11-18(12-10-17)25(28)29)22-13-19-5-1-2-6-20(19)14-22/h1-13H,14-16H2,(H,28,29)/t26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H20O3
Molecular Weight 380.4352
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:33:57 GMT 2025
Edited
by admin
on Wed Apr 02 19:33:57 GMT 2025
Record UNII
888LW3PCT2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PH-46 ketone metabolite
Common Name English
PH-46 M1 metabolite
Preferred Name English
4-[[(2S)-2,3-Dihydro-1-oxo[2,2?-bi-1H-inden]-2-yl]methyl]benzoic acid
Systematic Name English
Benzoic acid, 4-[[(2S)-2,3-dihydro-1-oxo[2,2?-bi-1H-inden]-2-yl]methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
888LW3PCT2
Created by admin on Wed Apr 02 19:33:57 GMT 2025 , Edited by admin on Wed Apr 02 19:33:57 GMT 2025
PRIMARY
PUBCHEM
60155201
Created by admin on Wed Apr 02 19:33:57 GMT 2025 , Edited by admin on Wed Apr 02 19:33:57 GMT 2025
PRIMARY
CAS
2839120-84-0
Created by admin on Wed Apr 02 19:33:57 GMT 2025 , Edited by admin on Wed Apr 02 19:33:57 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE