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Details

Stereochemistry RACEMIC
Molecular Formula C9H9NO4
Molecular Weight 195.1721
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOPAQUINONE, (±)-

SMILES

NC(CC1=CC(=O)C(=O)C=C1)C(O)=O

InChI

InChIKey=AHMIDUVKSGCHAU-UHFFFAOYSA-N
InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C9H9NO4
Molecular Weight 195.1721
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 16:59:21 UTC 2023
Edited
by admin
on Sat Dec 16 16:59:21 UTC 2023
Record UNII
5P7FHT9NL7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOPAQUINONE, (±)-
Common Name English
2-AMINO-3-(3,4-DIOXO-1-CYCLOHEXA-1,5-DIENYL)-PROPANOIC ACID
Common Name English
1,5-CYCLOHEXADIENE-1-ALANINE, 3,4-DIOXO-
Common Name English
1,5-CYCLOHEXADIENE-1-PROPANOIC ACID, .ALPHA.-AMINO-3,4-DIOXO-
Systematic Name English
.ALPHA.-AMINO-3,4-DIOXO-1,5-CYCLOHEXADIENE-1-PROPANOIC ACID
Common Name English
2-AMINO-3-(3,4-DIOXOCYCLOHEXA-1,5-DIEN-1-YL)PROPANOIC ACID
Common Name English
Code System Code Type Description
FDA UNII
5P7FHT9NL7
Created by admin on Sat Dec 16 16:59:21 UTC 2023 , Edited by admin on Sat Dec 16 16:59:21 UTC 2023
PRIMARY
CAS
4430-97-1
Created by admin on Sat Dec 16 16:59:21 UTC 2023 , Edited by admin on Sat Dec 16 16:59:21 UTC 2023
PRIMARY
WIKIPEDIA
L-Dopaquinone
Created by admin on Sat Dec 16 16:59:21 UTC 2023 , Edited by admin on Sat Dec 16 16:59:21 UTC 2023
PRIMARY
PUBCHEM
682
Created by admin on Sat Dec 16 16:59:21 UTC 2023 , Edited by admin on Sat Dec 16 16:59:21 UTC 2023
PRIMARY PUBCHEM
EPA CompTox
DTXSID50897220
Created by admin on Sat Dec 16 16:59:21 UTC 2023 , Edited by admin on Sat Dec 16 16:59:21 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE