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Filtered Search Results
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 |
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 |
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 |
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 |
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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 |
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 |
Montelukast sodium, 98%, Thermo Scientific Chemicals
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 |
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 |
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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 |
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 |
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 |
Butoconazole nitrate, Thermo Scientific™
CAS: 64872-77-1 Molecular Formula: C19H18Cl3N3O3S Molecular Weight (g/mol): 474.78 MDL Number: 00058159 InChI Key: ZHPWRQIPPNZNML-UHFFFAOYNA-N IUPAC Name: 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole; nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1
CAS | 64872-77-1 |
---|---|
Molecular Weight (g/mol) | 474.78 |
MDL Number | 00058159 |
SMILES | O[N+]([O-])=O.ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1 |
IUPAC Name | 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole; nitric acid |
InChI Key | ZHPWRQIPPNZNML-UHFFFAOYNA-N |
Molecular Formula | C19H18Cl3N3O3S |
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 |
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 |
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 |
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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 |
Brimonidine tartrate, Thermo Scientific™
CAS: 70359-46-5 Molecular Formula: C15H16BrN5O6 Molecular Weight (g/mol): 442.23 MDL Number: 07773072 InChI Key: QZHBYNSSDLTCRG-LREBCSMRSA-N IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.BrC1=C2N=CC=NC2=CC=C1NC1=NCCN1
CAS | 70359-46-5 |
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Molecular Weight (g/mol) | 442.23 |
MDL Number | 07773072 |
SMILES | O[C@H]([C@@H](O)C(O)=O)C(O)=O.BrC1=C2N=CC=NC2=CC=C1NC1=NCCN1 |
IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid; 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine |
InChI Key | QZHBYNSSDLTCRG-LREBCSMRSA-N |
Molecular Formula | C15H16BrN5O6 |
Cabozantinib (S)-malate, Thermo Scientific™
CAS: 1140909-48-3 Molecular Formula: C32H30FN3O10 Molecular Weight (g/mol): 635.60 MDL Number: MFCD20923480 InChI Key: HFCFMRYTXDINDK-UHFFFAOYNA-N IUPAC Name: 2-hydroxybutanedioic acid; N'1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SMILES: OC(CC(O)=O)C(O)=O.COC1=C(OC)C=C2C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)=CC=NC2=C1
CAS | 1140909-48-3 |
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Molecular Weight (g/mol) | 635.60 |
MDL Number | MFCD20923480 |
SMILES | OC(CC(O)=O)C(O)=O.COC1=C(OC)C=C2C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)=CC=NC2=C1 |
IUPAC Name | 2-hydroxybutanedioic acid; N'1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide |
InChI Key | HFCFMRYTXDINDK-UHFFFAOYNA-N |
Molecular Formula | C32H30FN3O10 |