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Drug Standards

Standard-value, reference solutions designed to facilitate accurate chromatographic and mass spectrometry-based toxicology and forensic detection of drugs and pharmaceuticals.
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1 – 15 of 129 results
1

Pimobendan, Thermo Scientific™

CAS: 74150-27-9 Molecular Formula: C19H18N4O2 Molecular Weight (g/mol): 334.38 MDL Number: 00761648 InChI Key: GLBJJMFZWDBELO-UHFFFAOYNA-N IUPAC Name: 6-[2-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one SMILES: COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N1)C1=NNC(=O)CC1C

CAS 74150-27-9
Molecular Weight (g/mol) 334.38
MDL Number 00761648
SMILES COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N1)C1=NNC(=O)CC1C
IUPAC Name 6-[2-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
InChI Key GLBJJMFZWDBELO-UHFFFAOYNA-N
Molecular Formula C19H18N4O2
2
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Atovaquone, Thermo Scientific™

CAS: 95233-18-4 Molecular Formula: C22H19ClO3 Molecular Weight (g/mol): 366.84 MDL Number: 00889188 InChI Key: BSJMWHQBCZFXBR-UHFFFAOYSA-N IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-dihydronaphthalene-1,2-dione SMILES: OC1=C(C2CCC(CC2)C2=CC=C(Cl)C=C2)C(=O)C(=O)C2=CC=CC=C12

CAS 95233-18-4
Molecular Weight (g/mol) 366.84
MDL Number 00889188
SMILES OC1=C(C2CCC(CC2)C2=CC=C(Cl)C=C2)C(=O)C(=O)C2=CC=CC=C12
IUPAC Name 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-dihydronaphthalene-1,2-dione
InChI Key BSJMWHQBCZFXBR-UHFFFAOYSA-N
Molecular Formula C22H19ClO3
3
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Oxfendazole, Thermo Scientific™

CAS: 53716-50-0 Molecular Formula: C15H13N3O3S Molecular Weight (g/mol): 315.35 MDL Number: 00801063 InChI Key: BEZZFPOZAYTVHN-UHFFFAOYNA-N IUPAC Name: methyl N-[6-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: COC(=O)NC1=NC2=CC=C(C=C2N1)S(=O)C1=CC=CC=C1

CAS 53716-50-0
Molecular Weight (g/mol) 315.35
MDL Number 00801063
SMILES COC(=O)NC1=NC2=CC=C(C=C2N1)S(=O)C1=CC=CC=C1
IUPAC Name methyl N-[6-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate
InChI Key BEZZFPOZAYTVHN-UHFFFAOYNA-N
Molecular Formula C15H13N3O3S
4

Oxibendazole, Thermo Scientific™

CAS: 20559-55-1 Molecular Formula: C12H15N3O3 Molecular Weight (g/mol): 249.27 MDL Number: 00133728 InChI Key: RAOCRURYZCVHMG-UHFFFAOYSA-N IUPAC Name: methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate SMILES: CCCOC1=CC=C2N=C(NC(=O)OC)NC2=C1

CAS 20559-55-1
Molecular Weight (g/mol) 249.27
MDL Number 00133728
SMILES CCCOC1=CC=C2N=C(NC(=O)OC)NC2=C1
IUPAC Name methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate
InChI Key RAOCRURYZCVHMG-UHFFFAOYSA-N
Molecular Formula C12H15N3O3
5

Etravirine, Thermo Scientific™

CAS: 269055-15-4 Molecular Formula: C20H15BrN6O Molecular Weight (g/mol): 435.29 MDL Number: MFCD09837879 InChI Key: PYGWGZALEOIKDF-UHFFFAOYSA-N Synonym: 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile IUPAC Name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(C)=C1OC1=NC(NC2=CC=C(C=C2)C#N)=NC(N)=C1Br)C#N

CAS 269055-15-4
Molecular Weight (g/mol) 435.29
MDL Number MFCD09837879
SMILES CC1=CC(=CC(C)=C1OC1=NC(NC2=CC=C(C=C2)C#N)=NC(N)=C1Br)C#N
Synonym 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
IUPAC Name 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
InChI Key PYGWGZALEOIKDF-UHFFFAOYSA-N
Molecular Formula C20H15BrN6O
6

Febantel, Thermo Scientific™

CAS: 58306-30-2 Molecular Formula: C20H22N4O6S Molecular Weight (g/mol): 446.48 MDL Number: 01738527 InChI Key: HMCCXLBXIJMERM-UHFFFAOYSA-N IUPAC Name: methyl N-{[(methoxycarbonyl)imino]({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino})methyl}carbamate SMILES: COCC(=O)NC1=CC(SC2=CC=CC=C2)=CC=C1NC(NC(=O)OC)=NC(=O)OC

CAS 58306-30-2
Molecular Weight (g/mol) 446.48
MDL Number 01738527
SMILES COCC(=O)NC1=CC(SC2=CC=CC=C2)=CC=C1NC(NC(=O)OC)=NC(=O)OC
IUPAC Name methyl N-{[(methoxycarbonyl)imino]({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino})methyl}carbamate
InChI Key HMCCXLBXIJMERM-UHFFFAOYSA-N
Molecular Formula C20H22N4O6S
7

Clevudine, Thermo Scientific™

CAS: 163252-36-6 Molecular Formula: C10H13FN2O5 Molecular Weight (g/mol): 260.22 MDL Number: MFCD00935785 InChI Key: GBBJCSTXCAQSSJ-XQXXSGGOSA-N IUPAC Name: 1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O

CAS 163252-36-6
Molecular Weight (g/mol) 260.22
MDL Number MFCD00935785
SMILES CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O
IUPAC Name 1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
InChI Key GBBJCSTXCAQSSJ-XQXXSGGOSA-N
Molecular Formula C10H13FN2O5
8

Cabazitaxel, Thermo Scientific™

CAS: 183133-96-2 Molecular Formula: C45H57NO14 Molecular Weight (g/mol): 835.94 MDL Number: MFCD18827611 InChI Key: BMQGVNUXMIRLCK-UHFFFAOYNA-N IUPAC Name: 4-(acetyloxy)-15-[(3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl)oxy]-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: COC1CC2OCC2(OC(C)=O)C2C(OC(=O)C3=CC=CC=C3)C3(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C(C(OC)C(=O)C12C)C3(C)C

CAS 183133-96-2
Molecular Weight (g/mol) 835.94
MDL Number MFCD18827611
SMILES COC1CC2OCC2(OC(C)=O)C2C(OC(=O)C3=CC=CC=C3)C3(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C(C(OC)C(=O)C12C)C3(C)C
IUPAC Name 4-(acetyloxy)-15-[(3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl)oxy]-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
InChI Key BMQGVNUXMIRLCK-UHFFFAOYNA-N
Molecular Formula C45H57NO14
9

Gestodene, Thermo Scientific™

CAS: 60282-87-3 Molecular Formula: C21H26O2 Molecular Weight (g/mol): 310.44 MDL Number: 00867858 InChI Key: SIGSPDASOTUPFS-KQMXEUTGSA-N Synonym: 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one IUPAC Name: (1R)-11a-ethyl-1-ethynyl-1-hydroxy-1H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=C[C@@]2(O)C#C

CAS 60282-87-3
Molecular Weight (g/mol) 310.44
MDL Number 00867858
SMILES CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=C[C@@]2(O)C#C
Synonym 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one
IUPAC Name (1R)-11a-ethyl-1-ethynyl-1-hydroxy-1H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI Key SIGSPDASOTUPFS-KQMXEUTGSA-N
Molecular Formula C21H26O2
10
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Ketorolac tromethamine, Thermo Scientific™

CAS: 74103-07-4 Molecular Formula: C19H24N2O6 Molecular Weight (g/mol): 376.41 MDL Number: 00887595 InChI Key: BWHLPLXXIDYSNW-UHFFFAOYNA-N IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid SMILES: NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1

CAS 74103-07-4
Molecular Weight (g/mol) 376.41
MDL Number 00887595
SMILES NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1
IUPAC Name 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
InChI Key BWHLPLXXIDYSNW-UHFFFAOYNA-N
Molecular Formula C19H24N2O6
11

Guanethidine sulfate, Thermo Scientific™

CAS: 645-43-2 Molecular Formula: C10H24N4O4S Molecular Weight (g/mol): 296.39 MDL Number: MFCD00035403 InChI Key: YUFWAVFNITUSHI-UHFFFAOYSA-N IUPAC Name: N''-[2-(azocan-1-yl)ethyl]guanidine; sulfuric acid SMILES: OS(O)(=O)=O.NC(N)=NCCN1CCCCCCC1

CAS 645-43-2
Molecular Weight (g/mol) 296.39
MDL Number MFCD00035403
SMILES OS(O)(=O)=O.NC(N)=NCCN1CCCCCCC1
IUPAC Name N''-[2-(azocan-1-yl)ethyl]guanidine; sulfuric acid
InChI Key YUFWAVFNITUSHI-UHFFFAOYSA-N
Molecular Formula C10H24N4O4S
12

Fenticonazole nitrate, Thermo Scientific™

CAS: 73151-29-8 Molecular Formula: C24H21Cl2N3O4S Molecular Weight (g/mol): 518.41 MDL Number: 00941391 InChI Key: FJNRUWDGCVDXLU-UHFFFAOYNA-N IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole; nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=CC=C(SC3=CC=CC=C3)C=C2)C(Cl)=C1

CAS 73151-29-8
Molecular Weight (g/mol) 518.41
MDL Number 00941391
SMILES O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=CC=C(SC3=CC=CC=C3)C=C2)C(Cl)=C1
IUPAC Name 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole; nitric acid
InChI Key FJNRUWDGCVDXLU-UHFFFAOYNA-N
Molecular Formula C24H21Cl2N3O4S
13
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Bromfenac sodium, Thermo Scientific™

CAS: 91714-93-1 Molecular Formula: C15H11BrNNaO3 Molecular Weight (g/mol): 356.15 MDL Number: MFCD03701673 InChI Key: HZFGMQJYAFHESD-UHFFFAOYSA-M IUPAC Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate SMILES: [Na+].NC1=C(CC([O-])=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1

CAS 91714-93-1
Molecular Weight (g/mol) 356.15
MDL Number MFCD03701673
SMILES [Na+].NC1=C(CC([O-])=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1
IUPAC Name sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate
InChI Key HZFGMQJYAFHESD-UHFFFAOYSA-M
Molecular Formula C15H11BrNNaO3
14

Bevantolol hydrochloride, Thermo Scientific™

CAS: 42864-78-8 Molecular Formula: C20H28ClNO4 Molecular Weight (g/mol): 381.90 MDL Number: 00941389 InChI Key: FJTKCFSPYUMXJB-UHFFFAOYNA-N IUPAC Name: hydrogen 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol chloride SMILES: [H+].[Cl-].COC1=CC=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1OC

CAS 42864-78-8
Molecular Weight (g/mol) 381.90
MDL Number 00941389
SMILES [H+].[Cl-].COC1=CC=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1OC
IUPAC Name hydrogen 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol chloride
InChI Key FJTKCFSPYUMXJB-UHFFFAOYNA-N
Molecular Formula C20H28ClNO4
15
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Bimatoprost, Thermo Scientific™

CAS: 155206-00-1 Molecular Formula: C25H37NO4 Molecular Weight (g/mol): 415.57 MDL Number: MFCD03411999 InChI Key: AQOKCDNYWBIDND-FTOWTWDKSA-N IUPAC Name: (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl]-N-ethylhept-5-enamide SMILES: CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1

CAS 155206-00-1
Molecular Weight (g/mol) 415.57
MDL Number MFCD03411999
SMILES CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1
IUPAC Name (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl]-N-ethylhept-5-enamide
InChI Key AQOKCDNYWBIDND-FTOWTWDKSA-N
Molecular Formula C25H37NO4