SynCED ID Name
CAS Number
FormulaStructureSources
CHEM0024832,2,4-Trimethylpentane
CAS540-84-1
C8H18
Avg mass114.229
Clean Air Act ChemicalsHPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM0024852,3,4-Trimethylpentane
CAS565-75-3
C8H18
Avg mass114.229
T3DB toxins
CHEM0024871-Pentene
CAS109-67-1
C5H10
Avg mass70.133
Clean Air Act ChemicalsHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM0024882-Pentene
CAS109-68-2
C5H10
Avg mass70.135
Clean Air Act ChemicalsHPV EPA ChemicalsT3DB toxins
CHEM0024892-Methyl-2-butene
CAS513-35-9
C5H10
Avg mass70.133
HPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxins
CHEM0024903-Methyl-1-butene
CAS563-45-1
C5H10
Avg mass70.133
Clean Air Act ChemicalsFooDB ChemicalsHPV EPA ChemicalsT3DB toxins
CHEM0024923-Methyl-2-pentene
CAS922-62-3
C6H12
Avg mass84.162
T3DB toxins
CHEM002494Cyclopentane
CAS287-92-3
C5H10
Avg mass70.133
HPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002495Methylcyclopentane
CAS96-37-7
C6H12
Avg mass84.160
FooDB ChemicalsHPV EPA ChemicalsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002496Cyclohexane
CAS110-82-7
C6H12
Avg mass84.160
Clean Air Act ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002498Polyvinyl acetate
CAS9003-20-7
C6H12O2
Avg mass116.158
Clean Air Act ChemicalsEAFUS ChemicalsFooDB ChemicalsIARC Carcinogens Group 3T3DB toxins
CHEM002500Acetaldehyde
CAS75-07-0
C2H4O
Avg mass44.053
Clean Air Act ChemicalsDisinfection ByproductsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineHPV EPA ChemicalsIARC Carcinogens Group 1IARC Carcinogens Group 2BOSHA Hazardous ChemicalsSTOFF IDENT CompoundsT3DB toxinsTobacco Smoke CompoundsToxCast & Tox21 Chemicals
CHEM0025011-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CAS28289-54-5
C12H15N
Avg mass173.254
T3DB toxins
CHEM002502Albendazole
CAS54965-21-8
C12H15N3O2S
Avg mass265.331
EAFUS ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002503Allopurinol
CAS315-30-0
C5H4N4O
Avg mass136.112
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002504Methyldopa
CAS555-29-3
C10H13NO4
Avg mass211.215
FooDB ChemicalsHMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002505Atenolol
CAS29122-68-7
C14H22N2O3
Avg mass266.336
FooDB ChemicalsSTOFF IDENT CompoundsSuspected CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals
CHEM002506Etidronic acid
CAS7414-83-7
C2H8O7P2
Avg mass206.027
EAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002507Brimonidine
CAS59803-98-4
C11H10BrN5
Avg mass292.135
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002508Carisoprodol
CAS78-44-4
C12H24N2O4
Avg mass260.330
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002509Cephalosporin
CAS97519-39-6
C15H14N4O6S2
Avg mass410.425
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002510Ciprofloxacin
CAS85721-33-1
C17H18FN3O3
Avg mass331.342
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002511Clindamycin
CAS18323-44-9
C18H33ClN2O5S
Avg mass424.983
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxins
CHEM002512Cyclosporin
CAS59865-13-3
C62H111N11O12
Avg mass1202.611
IARC Carcinogens Group 1T3DB toxinsToxCast & Tox21 Chemicals
CHEM002513Darifenacin
CAS133099-04-4
C28H30N2O2
Avg mass426.550
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins