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Details

Stereochemistry RACEMIC
Molecular Formula C20H20N2O3
Molecular Weight 336.3844
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Y-20811 FREE ACID

SMILES

CC1=CC=C(C=C1C(O)C2=C(C)C=C(C=C2C)C(O)=O)N3C=CN=C3

InChI

InChIKey=QSAHHFJAWATNBG-UHFFFAOYSA-N
InChI=1S/C20H20N2O3/c1-12-4-5-16(22-7-6-21-11-22)10-17(12)19(23)18-13(2)8-15(20(24)25)9-14(18)3/h4-11,19,23H,1-3H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C20H20N2O3
Molecular Weight 336.3844
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:47:36 GMT 2023
Edited
by admin
on Sat Dec 16 11:47:36 GMT 2023
Record UNII
B55P5F839E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Y-20811 FREE ACID
Common Name English
BENZOIC ACID, 4-(HYDROXY(5-(1H-IMIDAZOL-1-YL)-2-METHYLPHENYL)METHYL)-3,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
B55P5F839E
Created by admin on Sat Dec 16 11:47:36 GMT 2023 , Edited by admin on Sat Dec 16 11:47:36 GMT 2023
PRIMARY
CAS
107433-19-2
Created by admin on Sat Dec 16 11:47:36 GMT 2023 , Edited by admin on Sat Dec 16 11:47:36 GMT 2023
PRIMARY
PUBCHEM
121911
Created by admin on Sat Dec 16 11:47:36 GMT 2023 , Edited by admin on Sat Dec 16 11:47:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID801031357
Created by admin on Sat Dec 16 11:47:36 GMT 2023 , Edited by admin on Sat Dec 16 11:47:36 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY