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Drug Standards

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 779 results
4

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
5

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
6

2-Ethylhexyl salicylate, Thermo Scientific™

CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: 00053300 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O

CAS 118-60-5
Molecular Weight (g/mol) 250.34
MDL Number 00053300
SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1O
IUPAC Name 2-ethylhexyl 2-hydroxybenzoate
InChI Key FMRHJJZUHUTGKE-UHFFFAOYNA-N
Molecular Formula C15H22O3
7

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
8

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
9

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
10

Atomoxetine hydrochloride, Thermo Scientific™

CAS: 82248-59-7 Molecular Formula: C17H22ClNO Molecular Weight (g/mol): 291.82 MDL Number: 06410992 InChI Key: LUCXVPAZUDVVBT-UNTBIKODSA-N IUPAC Name: hydrogen methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine chloride SMILES: [H+].[Cl-].CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1

CAS 82248-59-7
Molecular Weight (g/mol) 291.82
MDL Number 06410992
SMILES [H+].[Cl-].CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1
IUPAC Name hydrogen methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine chloride
InChI Key LUCXVPAZUDVVBT-UNTBIKODSA-N
Molecular Formula C17H22ClNO
11

9-beta-D-Arabinofuranosylguanine, Thermo Scientific™

CAS: 38819-10-2 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD00065486 InChI Key: NYHBQMYGNKIUIF-FJFJXFQQSA-N Synonym: Araguanosine; Ara-G IUPAC Name: 2-amino-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one SMILES: NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

CAS 38819-10-2
Molecular Weight (g/mol) 283.24
MDL Number MFCD00065486
SMILES NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Synonym Araguanosine; Ara-G
IUPAC Name 2-amino-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one
InChI Key NYHBQMYGNKIUIF-FJFJXFQQSA-N
Molecular Formula C10H13N5O5
12

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
13

Aminopterin, Thermo Scientific™

CAS: 54-62-6 Molecular Formula: C19H20N8O5 Molecular Weight (g/mol): 440.42 MDL Number: 00036692 InChI Key: TVZGACDUOSZQKY-UHFFFAOYNA-N IUPAC Name: 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid SMILES: NC1=NC(N)=C2N=C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)C=NC2=N1

CAS 54-62-6
Molecular Weight (g/mol) 440.42
MDL Number 00036692
SMILES NC1=NC(N)=C2N=C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)C=NC2=N1
IUPAC Name 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
InChI Key TVZGACDUOSZQKY-UHFFFAOYNA-N
Molecular Formula C19H20N8O5
14

Darunavir, Thermo Scientific™

CAS: 206361-99-1 Molecular Formula: C27H37N3O7S Molecular Weight (g/mol): 547.67 MDL Number: MFCD09260006 InChI Key: CJBJHOAVZSMMDJ-HEXNFIEUSA-N IUPAC Name: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate SMILES: CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)C1=CC=C(N)C=C1

CAS 206361-99-1
Molecular Weight (g/mol) 547.67
MDL Number MFCD09260006
SMILES CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)C1=CC=C(N)C=C1
IUPAC Name (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate
InChI Key CJBJHOAVZSMMDJ-HEXNFIEUSA-N
Molecular Formula C27H37N3O7S
15

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