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Details

Stereochemistry RACEMIC
Molecular Formula C18H22N2O2
Molecular Weight 298.3795
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6PPD-quinone

SMILES

CC(C)CC(C)NC1=CC(=O)C(NC2=CC=CC=C2)=CC1=O

InChI

InChIKey=UBMGKRIXKUIXFQ-UHFFFAOYSA-N
InChI=1S/C18H22N2O2/c1-12(2)9-13(3)19-15-10-18(22)16(11-17(15)21)20-14-7-5-4-6-8-14/h4-8,10-13,19-20H,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H22N2O2
Molecular Weight 298.3795
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 19:58:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:58:28 GMT 2023
Record UNII
G8MFB8G7B6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6PPD-quinone
Common Name English
6PPD quinone
Common Name English
2-((4-Methylpentan-2-yl)amino)-5-(phenylamino)cyclohexa-2,5-diene-1,4-dione
Systematic Name English
2-[(1,3-Dimethylbutyl)amino]-5-(phenylamino)-2,5-cyclohexadiene-1,4-dione
Systematic Name English
2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenylamino)-
Systematic Name English
Code System Code Type Description
PUBCHEM
154926030
Created by admin on Sat Dec 16 19:58:29 GMT 2023 , Edited by admin on Sat Dec 16 19:58:29 GMT 2023
PRIMARY
FDA UNII
G8MFB8G7B6
Created by admin on Sat Dec 16 19:58:29 GMT 2023 , Edited by admin on Sat Dec 16 19:58:29 GMT 2023
PRIMARY
CAS
2754428-18-5
Created by admin on Sat Dec 16 19:58:29 GMT 2023 , Edited by admin on Sat Dec 16 19:58:29 GMT 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
6PPD quinone, was identifiedas a toxic chemical causing acute mortality in coho salmon(Oncorhynchus kisutch) exposed to urban runoff.
PARENT -> DEGRADENT