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2

Cisplatin, TRC

CAS: 15663-27-1 Molecular Formula: Cl2 H6 N2 Pt Molecular Weight (g/mol): 300.04 Synonym: Cisplatin,cis-Diamminedichloroplatinum(II) IUPAC Name: azanide;dichloroplatinum(2+) SMILES: [Cl-][Pt+2]([Cl-])([NH3])[NH3]

CAS 15663-27-1
Molecular Weight (g/mol) 300.04
SMILES [Cl-][Pt+2]([Cl-])([NH3])[NH3]
Synonym Cisplatin,cis-Diamminedichloroplatinum(II)
IUPAC Name azanide;dichloroplatinum(2+)
Molecular Formula Cl2 H6 N2 Pt
3

DIBOA, TRC

CAS: 17359-54-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 Synonym: (±)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one,(±)-DIBOA,2,4-Dihydroxy-1,4-benzoxazin-3-one,2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one SMILES: O=C1C(O)OC2=CC=CC=C2N1O

CAS 17359-54-5
Molecular Weight (g/mol) 181.15
SMILES O=C1C(O)OC2=CC=CC=C2N1O
Synonym (±)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one,(±)-DIBOA,2,4-Dihydroxy-1,4-benzoxazin-3-one,2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
Molecular Formula C8H7NO4
4

Brinzolamide, TRC

CAS: 138890-62-7 Molecular Formula: C12 H21 N3 O5 S3 Molecular Weight (g/mol): 383.51 Synonym: Brinzolamide,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4R)-,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-,AL 4862 IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide SMILES: CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N

CAS 138890-62-7
Molecular Weight (g/mol) 383.51
SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N
Synonym Brinzolamide,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4R)-,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-,AL 4862
IUPAC Name (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Molecular Formula C12 H21 N3 O5 S3
5

Nizatidine, TRC

CAS: 76963-41-2 Molecular Formula: C12 H21 N5 O2 S2 Molecular Weight (g/mol): 331.46 Synonym: Nizatidine,N'-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N-methyl-2-nitro-1,1-ethenediamine,N-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine,Acinon,Axid,Bonacid,Calmaxid,Cronizat,Distaxid,Gastrax,LY 139037,Naxidine,Nizax,Nizaxid,Tazac,ZL 101,Zanizal IUPAC Name: 1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine SMILES: CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1

CAS 76963-41-2
Molecular Weight (g/mol) 331.46
SMILES CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
Synonym Nizatidine,N'-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N-methyl-2-nitro-1,1-ethenediamine,N-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine,Acinon,Axid,Bonacid,Calmaxid,Cronizat,Distaxid,Gastrax,LY 139037,Naxidine,Nizax,Nizaxid,Tazac,ZL 101,Zanizal
IUPAC Name 1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
Molecular Formula C12 H21 N5 O2 S2
6

Glyphosate, TRC

CAS: 1071-83-6 Molecular Formula: C3 H8 N O5 P Molecular Weight (g/mol): 169.07 Synonym: N-(Phosphonomethyl)glycine,(Carboxymethylamino)methylphosphonic acid,Accord 4L,Accord XRT II,Atila,Buccaneer,Buccaneer Plus,C-K Yuyos FAV,Carboxymethylaminomethanephosphinic acid,Folusen,Forsat,Gibson,Glialka,Glialka 36,Glifoglex,Glifosan 747,Gliz,Gliz 480CS,GlyGran,Glyfos,Glyphodin A,Glyphomax,Glyphosate,Glyphosate CT,Green Fire 50SL,Ground Bio,HM 2028,Herbatop,Hockey,Kickdown,Klinik,Lancer,Lancer (herbicide),Leone,MON 2139,MON 3539,MON 6000,N-Phosphomethylglycine,NSC 151063,Phorsat,Phosphonomethylglycine,Phosphonomethyliminoacetic acid,Rebel Garden,Roundup Max,Safal,Scout,Scout (herbicide),Silglif,Total,Weedmaster 50SL IUPAC Name: 2-(phosphonomethylamino)acetic acid SMILES: OC(=O)CNCP(=O)(O)O

CAS 1071-83-6
Molecular Weight (g/mol) 169.07
SMILES OC(=O)CNCP(=O)(O)O
Synonym N-(Phosphonomethyl)glycine,(Carboxymethylamino)methylphosphonic acid,Accord 4L,Accord XRT II,Atila,Buccaneer,Buccaneer Plus,C-K Yuyos FAV,Carboxymethylaminomethanephosphinic acid,Folusen,Forsat,Gibson,Glialka,Glialka 36,Glifoglex,Glifosan 747,Gliz,Gliz 480CS,GlyGran,Glyfos,Glyphodin A,Glyphomax,Glyphosate,Glyphosate CT,Green Fire 50SL,Ground Bio,HM 2028,Herbatop,Hockey,Kickdown,Klinik,Lancer,Lancer (herbicide),Leone,MON 2139,MON 3539,MON 6000,N-Phosphomethylglycine,NSC 151063,Phorsat,Phosphonomethylglycine,Phosphonomethyliminoacetic acid,Rebel Garden,Roundup Max,Safal,Scout,Scout (herbicide),Silglif,Total,Weedmaster 50SL
IUPAC Name 2-(phosphonomethylamino)acetic acid
Molecular Formula C3 H8 N O5 P
7

Ketoconazole, TRC

CAS: 65277-42-1 Molecular Formula: C26 H28 Cl2 N4 O4 Molecular Weight (g/mol): 531.43 Synonym: Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-,Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel- (9CI),Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, cis-,(±)-Ketoconazole,Brizoral,Fungarest,Fungoral,Ketoconazole,Ketoderm,Ketoisdin,Ketozoral,Nizoral,Nizral,Onofin K,Orifungal M,Panfungol,R 41400 IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2

CAS 65277-42-1
Molecular Weight (g/mol) 531.43
SMILES CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
Synonym Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-,Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel- (9CI),Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, cis-,(±)-Ketoconazole,Brizoral,Fungarest,Fungoral,Ketoconazole,Ketoderm,Ketoisdin,Ketozoral,Nizoral,Nizral,Onofin K,Orifungal M,Panfungol,R 41400
IUPAC Name 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Molecular Formula C26 H28 Cl2 N4 O4
8

Itraconazole, TRC

CAS: 84625-61-6 Molecular Formula: C35 H38 Cl2 N8 O4 Molecular Weight (g/mol): 705.63 Synonym: rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one,Candistat,Canditral,Cladosal 100,Itrac,Itraconazole,Itralek,Itrizole,Oriconazole,Orungal,Orungamin,R 51211,SUBA Itraconazole,Sempera,Spherazole CR,Spherazole IR,Sporal,Sporamelt,Sporanox,Sporanox IV,Sporonox,Traconal,Triasporin,cis-Itraconazole IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one SMILES: CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

CAS 84625-61-6
Molecular Weight (g/mol) 705.63
SMILES CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
Synonym rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one,Candistat,Canditral,Cladosal 100,Itrac,Itraconazole,Itralek,Itrizole,Oriconazole,Orungal,Orungamin,R 51211,SUBA Itraconazole,Sempera,Spherazole CR,Spherazole IR,Sporal,Sporamelt,Sporanox,Sporanox IV,Sporonox,Traconal,Triasporin,cis-Itraconazole
IUPAC Name 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Molecular Formula C35 H38 Cl2 N8 O4
9

Porphobilinogen, TRC

CAS: 487-90-1 Molecular Formula: C10H14N2O4 Molecular Weight (g/mol): 226.23 Synonym: 5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propanoic Acid,PBG,3-[5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic Acid hydrate IUPAC Name: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid SMILES: NCc1[nH]cc(CCC(=O)O)c1CC(=O)O

CAS 487-90-1
Molecular Weight (g/mol) 226.23
SMILES NCc1[nH]cc(CCC(=O)O)c1CC(=O)O
Synonym 5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propanoic Acid,PBG,3-[5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic Acid hydrate
IUPAC Name 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
Molecular Formula C10H14N2O4
10

Resiquimod, TRC

CAS: 144875-48-9 Molecular Formula: C17 H22 N4 O2 Molecular Weight (g/mol): 314.38 Synonym: 1-[4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol,4-Amino-2-(ethoxymethyl)-1-(2-hydroxyisobutyl)imidazo[4,5-c]quinoline,4-Amino-2-ethoxymethyl-α,α-dimethyl-1H-imidazo[4,5-c]quinoline-1-ethanol,R 848,Resiquimod,S 28463 IUPAC Name: 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol SMILES: CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O

CAS 144875-48-9
Molecular Weight (g/mol) 314.38
SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Synonym 1-[4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol,4-Amino-2-(ethoxymethyl)-1-(2-hydroxyisobutyl)imidazo[4,5-c]quinoline,4-Amino-2-ethoxymethyl-α,α-dimethyl-1H-imidazo[4,5-c]quinoline-1-ethanol,R 848,Resiquimod,S 28463
IUPAC Name 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Molecular Formula C17 H22 N4 O2
11

Thalidomide, TRC

CAS: 50-35-1 Molecular Formula: C13 H10 N2 O4 Molecular Weight (g/mol): 258.23 Synonym: Thalidomide,2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione,(±)-Thalidomide,1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline,3-Phthalimidoglutarimide,Celgene,Contergan,Distaval,K 17,Kevadon,Myrin,N-(2,6-Dioxo-3-piperidyl)phthalimide,N-Phthaloylglutamimide,NSC 527179,NSC 66847,Neurosedyn,Pantosediv,Pharmion,Quetimid,Sauramide,Sedalis,Sedoval,Softenil,Softenon,Suaramide,Synovir,Talimol,Talinol,Thaled,Thalomid,α-(N-Phthalimido)glutarimide,α-N-Phthalylglutaramide,α-Phthalimidoglutarimide IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SMILES: O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1

CAS 50-35-1
Molecular Weight (g/mol) 258.23
SMILES O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
Synonym Thalidomide,2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione,(±)-Thalidomide,1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline,3-Phthalimidoglutarimide,Celgene,Contergan,Distaval,K 17,Kevadon,Myrin,N-(2,6-Dioxo-3-piperidyl)phthalimide,N-Phthaloylglutamimide,NSC 527179,NSC 66847,Neurosedyn,Pantosediv,Pharmion,Quetimid,Sauramide,Sedalis,Sedoval,Softenil,Softenon,Suaramide,Synovir,Talimol,Talinol,Thaled,Thalomid,α-(N-Phthalimido)glutarimide,α-N-Phthalylglutaramide,α-Phthalimidoglutarimide
IUPAC Name 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular Formula C13 H10 N2 O4
12

Bumetrizole, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

13

Dibromoacetamide, TRC

CAS: 598-70-9 Molecular Formula: C2 H3 Br2 N O Molecular Weight (g/mol): 216.86 Synonym: 2,2-Dibromoacetamide,Dibromoacetamide IUPAC Name: 2,2-dibromoacetamide SMILES: NC(=O)C(Br)Br

CAS 598-70-9
Molecular Weight (g/mol) 216.86
SMILES NC(=O)C(Br)Br
Synonym 2,2-Dibromoacetamide,Dibromoacetamide
IUPAC Name 2,2-dibromoacetamide
Molecular Formula C2 H3 Br2 N O
14

Fluoxastrobin, TRC

CAS: 361377-29-9 Molecular Formula: C21 H16 Cl F N4 O5 Molecular Weight (g/mol): 458.83 Synonym: Disarm,Disarm 480SC,Evito,Evito 480SC,Fluoxastrobin,Fluoxastrobin ST,HEC 5725,(1E)-[2-[[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime IUPAC Name: (E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine SMILES: CO\N=C(\C1=NOCCO1)/c2ccccc2Oc3ncnc(Oc4ccccc4Cl)c3F

CAS 361377-29-9
Molecular Weight (g/mol) 458.83
SMILES CO\N=C(\C1=NOCCO1)/c2ccccc2Oc3ncnc(Oc4ccccc4Cl)c3F
Synonym Disarm,Disarm 480SC,Evito,Evito 480SC,Fluoxastrobin,Fluoxastrobin ST,HEC 5725,(1E)-[2-[[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime
IUPAC Name (E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
Molecular Formula C21 H16 Cl F N4 O5
15

Pyrimethamine, TRC

CAS: 58-14-0 Molecular Formula: C12 H13 Cl N4 Molecular Weight (g/mol): 248.71 Synonym: Pyrimethamine,5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine,2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine,2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine,4753 R.P.,5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine,5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine,BW 50-63,Chloridin,Chloridine,Darachlor,Darapram,Daraprim,Daraprime,Diaminopyritamin,Erbaprelina,Khloridin,Malacid,Malocid,Malocide,NSC 3061,Pirimecidan,Pirimetamin,Pyrimethamin,Pyrimethamine,RP 4753,Tindurin,Tinduring,WR 2978 IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine SMILES: CCc1nc(N)nc(N)c1c2ccc(Cl)cc2

CAS 58-14-0
Molecular Weight (g/mol) 248.71
SMILES CCc1nc(N)nc(N)c1c2ccc(Cl)cc2
Synonym Pyrimethamine,5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine,2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine,2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine,4753 R.P.,5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine,5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine,BW 50-63,Chloridin,Chloridine,Darachlor,Darapram,Daraprim,Daraprime,Diaminopyritamin,Erbaprelina,Khloridin,Malacid,Malocid,Malocide,NSC 3061,Pirimecidan,Pirimetamin,Pyrimethamin,Pyrimethamine,RP 4753,Tindurin,Tinduring,WR 2978
IUPAC Name 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Molecular Formula C12 H13 Cl N4