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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 345 results
1

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

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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
5

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
7

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

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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
8

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
9

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

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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
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

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
13

Thermo Scientific Chemicals Vandetanib

CAS: 443913-73-3 Molecular Formula: C22H24BrFN4O2 Molecular Weight (g/mol): 475.36 InChI Key: UHTHHESEBZOYNR-UHFFFAOYSA-N IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine SMILES: COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=CC=C(Br)C=C3F)C2=C1

CAS 443913-73-3
Molecular Weight (g/mol) 475.36
SMILES COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=CC=C(Br)C=C3F)C2=C1
IUPAC Name N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
InChI Key UHTHHESEBZOYNR-UHFFFAOYSA-N
Molecular Formula C22H24BrFN4O2
15

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