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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 781 results
5

Montelukast sodium, 98%

CAS: 151767-02-1 Molecular Formula: C35H35ClNNaO3S Molecular Weight (g/mol): 608.17 MDL Number: MFCD00931431 InChI Key: LBFBRXGCXUHRJY-HKHDRNBDSA-M PubChem CID: 23663996 ChEBI: CHEBI:6993 IUPAC Name: sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate SMILES: [Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(\C=C\C2=CC=C3C=CC(Cl)=CC3=N2)=C1

PubChem CID 23663996
CAS 151767-02-1
Molecular Weight (g/mol) 608.17
ChEBI CHEBI:6993
MDL Number MFCD00931431
SMILES [Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(\C=C\C2=CC=C3C=CC(Cl)=CC3=N2)=C1
IUPAC Name sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
InChI Key LBFBRXGCXUHRJY-HKHDRNBDSA-M
Molecular Formula C35H35ClNNaO3S
6

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
7

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
8

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
9

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
10

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
11

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
12

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
13

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
14

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
15

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