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Drug Standards

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1 – 15 of 16 results
1

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
2

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
3

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
4

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
5

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
6

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
9

Methapyrilene HCl, MilliporeSigma™ Supelco™

Methapyrilene is an H1-receptor antihistamine that is known to cause periportal hepatic necrosis following acute high dose administration to the rat subjects in in vitro studies carried out for the identification of mutagens and/or carcinogens.

11

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
12

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
13

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
14

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
15

Thermo Scientific Chemicals Halcinonide

CAS: 3093-35-4 Molecular Formula: C24H32ClFO5 Molecular Weight (g/mol): 454.96 MDL Number: MFCD00866006 InChI Key: MUQNGPZZQDCDFT-JNQJZLCISA-N IUPAC Name: (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-17-en-16-one SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl

CAS 3093-35-4
Molecular Weight (g/mol) 454.96
MDL Number MFCD00866006
SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl
IUPAC Name (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-17-en-16-one
InChI Key MUQNGPZZQDCDFT-JNQJZLCISA-N
Molecular Formula C24H32ClFO5