SynCED ID Name
CAS Number
FormulaStructureSources
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
CHEM002143Caffeine
CAS58-08-2
C8H10N4O2
Avg mass194.191
Cosmetic ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsIARC Carcinogens Group 3My Exposome ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsTobacco Smoke CompoundsToxCast & Tox21 Chemicals
CHEM002144Reserpine
CAS50-55-5
C33H40N2O9
Avg mass608.679
Clean Air Act ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsIARC Carcinogens Group 3STOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002145Citalopram
CAS59729-33-8
C20H21FN2O
Avg mass324.392
FooDB ChemicalsSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxins
CHEM002146Enflurane
CAS13838-16-9
C3H2ClF5O
Avg mass184.492
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002147Temazepam
CAS846-50-4
C16H13ClN2O2
Avg mass300.740
HMDB Contaminants - UrineIARC Carcinogens Group 3STOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002148Reboxetine
CAS98769-81-4
C19H23NO3
Avg mass313.391
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002149Butabarbital
CAS125-40-6
C10H16N2O3
Avg mass212.246
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002150Oxiconazole
CAS64211-46-7
C18H13Cl4N3O
Avg mass429.127
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002151Benzatropine
CAS86-13-5
C21H25NO
Avg mass307.429
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002152Methysergide
CAS361-37-5
C21H27N3O2
Avg mass353.458
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002153Cabergoline
CAS81409-90-7
C26H37N5O2
Avg mass451.604
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002154Phenytoin
CAS57-41-0
C15H12N2O2
Avg mass252.268
Clean Air Act ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsIARC Carcinogens Group 2BSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002155Clotrimazole
CAS23593-75-1
C22H17ClN2
Avg mass344.837
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002156Ropinirole
CAS91374-21-9
C16H24N2O
Avg mass260.375
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals