Chemical identification
CAS identifier2512-29-0
Pubchem identifier221491
DSSTox identifierDTXSID4041735
IUPAC name2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
StructureC.I. Pigment Yellow 1

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCc1ccc(c(c1)[N+](=O)[O-])/N=N/C(C(=O)Nc1ccccc1)C(=O)C
InChIInChI=1S/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)/b20-19+
InChIKeyMFYSUUPKMDJYPF-FMQUCBEESA-N

Chemical classification
KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives

Chemical Function
DISCLAIMER

TICToK is a knowledgebase of chemicals found in tattoo inks, compiled from publicly available regulatory and scientific resources. The chemical classifications presented in this knowledgebase are derived from multiple publicly available resources and are provided solely for informational purposes, and they are neither authoritative nor binding. The chemical-AOP mappings compiled in this knowledgebase serve as plausible hypotheses for research, and further experimental validation is required to definitively establish these potential toxicity mechanisms. The authors bear no responsibility for any errors, omissions, or inconsistencies originating from these external sources. Users are advised to exercise independent judgment when interpreting chemical classifications and any other data provided in this resource. Importantly, our sole goal to build this resource on tattoo ink chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.