SynCED ID Name
CAS Number
FormulaStructureSources
CHEM002318Levobupivacaine
CAS27262-47-1
C18H28N2O
Avg mass288.428
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002319Tioconazole
CAS65899-73-2
C16H13Cl3N2OS
Avg mass387.711
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002320Balsalazide
CAS80573-04-2
C17H15N3O6
Avg mass357.318
HMDB Contaminants - UrineT3DB toxinsToxCast & Tox21 Chemicals
CHEM002321Bethanechol
CAS674-38-4
C7H17N2O2
Avg mass161.222
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002322Phytonadione
CAS84-80-0
C31H46O2
Avg mass450.696
Cosmetic ChemicalsFooDB ChemicalsHMDB Contaminants - UrineIARC Carcinogens Group 3STOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002323Mycophenolic acid
CAS24280-93-1
C17H20O6
Avg mass320.337
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002324Ketoconazole
CAS65277-42-1
C26H28Cl2N4O4
Avg mass531.431
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002325Methoxyflurane
CAS76-38-0
C3H4Cl2F2O
Avg mass164.966
HMDB Contaminants - UrineT3DB toxinsToxCast & Tox21 Chemicals
CHEM002326Ethinamate
CAS126-52-3
C9H13NO2
Avg mass167.205
HMDB Contaminants - UrineT3DB toxins
CHEM002327Cerulenin
CAS17397-89-6
C12H17NO3
Avg mass223.272
HMDB Contaminants - UrineT3DB toxins
CHEM002328Selegiline
CAS14611-51-9
C13H17N
Avg mass187.281
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002329Carphenazine
CAS2622-30-2
C23H29N3O2S
Avg mass411.560
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002330Memantine
CAS19982-08-2
C12H21N
Avg mass179.302
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002331Gatifloxacin
CAS112811-59-3
C19H22FN3O4
Avg mass375.394
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002332Rifampin
CAS13292-46-1
C43H58N4O12
Avg mass822.953
HMDB Contaminants - UrineIARC Carcinogens Group 3STOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002333Ibuprofen
CAS15687-27-1
C13H18O2
Avg mass206.281
FooDB ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals
CHEM002334Melatonin
CAS73-31-4
C13H16N2O2
Avg mass232.278
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002335Clonazepam
CAS1622-61-3
C15H10ClN3O3
Avg mass315.711
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002336Dihydrotachysterol
CAS67-96-9
C28H46O
Avg mass398.664
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002337Perhexiline
CAS6621-47-2
C19H35N
Avg mass277.488
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002338Diphenhydramine
CAS58-73-1
C17H21NO
Avg mass255.355
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002339Vigabatrin
CAS60643-86-9
C6H11NO2
Avg mass129.157
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002340Diphenoxylate
CAS915-30-0
C30H32N2O2
Avg mass452.587
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002341Pilocarpine
CAS54-71-7
C11H16N2O2
Avg mass208.257
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002342Benzocaine
CAS94-09-7
C9H11NO2
Avg mass165.189
Cosmetic ChemicalsFooDB ChemicalsHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals