SynCED ID Name
CAS Number
FormulaStructureSources
CHEM002168Codeine
CAS76-57-3
C18H21NO3
Avg mass299.364
FooDB ChemicalsSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals
CHEM002169Dihydroergotamine
CAS6190-39-2
C33H37N5O5
Avg mass583.677
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002170Tolcapone
CAS134308-13-7
C14H11NO5
Avg mass273.241
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002171Hydromorphone
CAS466-99-9
C17H19NO3
Avg mass285.338
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002172Indomethacin
CAS53-86-1
C19H16ClNO4
Avg mass357.788
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals
CHEM002173Olanzapine
CAS132539-06-1
C17H20N4S
Avg mass312.432
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002174Metixene
CAS4969-02-2
C20H23NS
Avg mass309.468
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002175Cetirizine
CAS83881-51-0
C21H25ClN2O3
Avg mass388.888
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxins
CHEM002176Terfenadine
CAS50679-08-8
C32H41NO2
Avg mass471.673
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002177Diltiazem
CAS42399-41-7
C22H26N2O4S
Avg mass414.518
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002178Protriptyline
CAS438-60-8
C19H21N
Avg mass263.377
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002179Trimethadione
CAS127-48-0
C6H9NO3
Avg mass143.141
HMDB Contaminants - UrineT3DB toxinsToxCast & Tox21 Chemicals
CHEM002180Anidulafungin
CAS166663-25-8
C58H73N7O17
Avg mass1140.237
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002181Clozapine
CAS5786-21-0
C18H19ClN4
Avg mass326.823
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002182Mirtazapine
CAS61337-67-5
C17H19N3
Avg mass265.353
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002183Trihexyphenidyl
CAS144-11-6
C20H31NO
Avg mass301.466
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002184Dexrazoxane
CAS24584-09-6
C11H16N4O4
Avg mass268.269
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002185Tacrine
CAS321-64-2
C13H14N2
Avg mass198.264
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002186Procyclidine
CAS77-37-2
C19H29NO
Avg mass287.440
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002187Alprazolam
CAS28981-97-7
C17H13ClN4
Avg mass308.765
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002188Loxapine
CAS1977-10-2
C18H18ClN3O
Avg mass327.808
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002189Pramipexole
CAS104632-26-0
C10H17N3S
Avg mass211.327
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002190Secobarbital
CAS76-73-3
C12H18N2O3
Avg mass238.283
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002191Methylphenidate
CAS113-45-1
C14H19NO2
Avg mass233.306
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002192Zolpidem
CAS82626-48-0
C19H21N3O
Avg mass307.390
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals