SynCED ID Name
CAS Number
FormulaStructureSources
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
CHEM002157Topiramate
CAS97240-79-4
C12H21NO8S
Avg mass339.362
FooDB ChemicalsSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002158Lidocaine
CAS137-58-6
C14H22N2O
Avg mass234.337
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterT3DB toxinsToxCast & Tox21 Chemicals
CHEM002159Venlafaxine
CAS93413-69-5
C17H27NO2
Avg mass277.402
FooDB ChemicalsSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals
CHEM002160Atomoxetine
CAS82248-59-7
C17H21NO
Avg mass255.355
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002161Bleomycin
CAS11056-06-7
C55H84N17O21S3
Avg mass1415.552
HMDB Contaminants - UrineIARC Carcinogens Group 1IARC Carcinogens Group 2BSTOFF IDENT CompoundsT3DB toxins
CHEM002162Morphine
CAS57-27-2
C17H19NO3
Avg mass285.338
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxins
CHEM002163Ropivacaine
CAS84057-95-4
C17H26N2O
Avg mass274.401
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002164Bupivacaine
CAS2180-92-9
C18H28N2O
Avg mass288.428
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002165Mitomycin
CAS50-07-7
C15H18N4O5
Avg mass334.327
Clean Air Act ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsIARC Carcinogens Group 2BSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002166Pentobarbital
CAS76-74-4
C11H18N2O3
Avg mass226.272
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002167Zolmitriptan
CAS139264-17-8
C16H21N3O2
Avg mass287.357
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals