SynCED ID Name
CAS Number
FormulaStructureSources
CHEM002118Zaleplon
CAS151319-34-5
C17H15N5O
Avg mass305.334
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002119Oxaliplatin
CAS61825-94-3
C8H12N2O4Pt
Avg mass395.276
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002120Linezolid
CAS165800-03-3
C16H20FN3O4
Avg mass337.346
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002121Methadone
CAS76-99-3
C21H27NO
Avg mass309.445
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterT3DB toxins
CHEM002122Aripiprazole
CAS129722-12-9
C23H27Cl2N3O2
Avg mass448.385
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002123Nitrofurantoin
CAS67-20-9
C8H6N4O5
Avg mass238.157
HMDB Contaminants - UrineIARC Carcinogens Group 3STOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002124Rosuvastatin
CAS287714-41-4
C22H28FN3O6S
Avg mass481.538
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002125Biotin
CAS58-85-5
C10H16N2O3S
Avg mass244.311
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002126Calcitriol
CAS32222-06-3
C27H44O3
Avg mass416.637
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002127Calcidiol
CAS19356-17-3
C27H44O2
Avg mass400.637
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxinsToxCast & Tox21 Chemicals
CHEM002128Thiamine
CAS59-43-8
C12H17N4OS
Avg mass265.355
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002129Ergocalciferol
CAS50-14-6
C28H44O
Avg mass396.648
Clean Air Act ChemicalsCosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002130Folic acid
CAS59-30-3
C19H19N7O6
Avg mass441.398
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002131Vitamin A
CAS68-26-8
C20H30O
Avg mass286.452
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002132Alpha-Tocopherol
CAS59-02-9
C29H50O2
Avg mass430.706
Cosmetic ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002133Pyridoxine
CAS65-23-6
C8H11NO3
Avg mass169.178
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002134(R)-lipoic acid
CAS62-46-4
C8H14O2S2
Avg mass206.326
Cosmetic ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002135Cholecalciferol
CAS67-97-0
C27H44O
Avg mass384.638
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002136Menadione
CAS58-27-5
C11H8O2
Avg mass172.180
FooDB ChemicalsHMDB Contaminants - UrineIARC Carcinogens Group 3STOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002137Fluvoxamine
CAS54739-18-3
C15H21F3N2O2
Avg mass318.335
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002138Amphetamine
CAS300-62-9
C9H13N
Avg mass135.206
Clean Air Act ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsT3DB toxins
CHEM002139Lorazepam
CAS846-49-1
C15H10Cl2N2O2
Avg mass321.158
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002140Ethchlorvynol
CAS113-18-8
C7H9ClO
Avg mass144.600
HMDB Contaminants - UrineT3DB toxinsToxCast & Tox21 Chemicals
CHEM002141Phentermine
CAS122-09-8
C10H15N
Avg mass149.233
Clean Air Act ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002142Fluconazole
CAS86386-73-4
C13H12F2N6O
Avg mass306.271
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals