Phenylbutylamines

(±)-Verapamil hydrochloride, 99+%, Acros Organics™

CAS: 152-11-4 Molecular Formula: C27H38N2O4·HCl Molecular Weight (g/mol): 491.07 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: calaptin PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

Verapamil Hydrochloride 98.0+%, TCI America™

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: calaptin PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

4-Phenylbutylamine 98.0+%, TCI America™

CAS: 13214-66-9 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008231 InChI Key: AGNFWIZBEATIAK-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane PubChem CID: 83242 IUPAC Name: 4-phenylbutan-1-amine SMILES: C1=CC=C(C=C1)CCCCN

ARRY 520 trifluoroacetate, Tocris Bioscience™

CAS: 885060-09-3 Molecular Formula: C20H22F2N4O2S Molecular Weight (g/mol): 420.479 InChI Key: LLXISKGBWFTGEI-FQEVSTJZSA-N Synonym: 2s-2-3-aminopropyl-5-2,5-difluorophenyl-n-methoxy-n-methyl-2-phenyl-1,3,4-thiadiazole-3 2h-carboxamide PubChem CID: 44224257 IUPAC Name: (2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide SMILES: CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC

Citalopram hydrobromide, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 59729-32-7 Molecular Formula: C20H22BrFN2O Molecular Weight (g/mol): 405.311 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: 1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

Butoconazole Nitrate 98.0+%, TCI America™

CAS: 64872-77-1 Molecular Formula: C19H18Cl3N3O3S Molecular Weight (g/mol): 474.781 MDL Number: MFCD00058159 InChI Key: ZHPWRQIPPNZNML-UHFFFAOYSA-N Synonym: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate PubChem CID: 47471 ChEBI: CHEBI:3241 IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]

Alfa Aesar™ Ibutilide hemifumarate salt, 99%

CAS: 122647-32-9 Molecular Formula: C44H76N4O10S2 Molecular Weight (g/mol): 885.23 MDL Number: MFCD01715410 InChI Key: PCIOHQNIRPWFMV-WXXKFALUSA-N Synonym: +--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1 PubChem CID: 5281065 IUPAC Name: (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide SMILES: CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O

Citalopram hydrobromide, Acros Organics™

CAS: 59729-32-7 Molecular Formula: C20H22BrFN2O Molecular Weight (g/mol): 405.311 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: 1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

Alfa Aesar™ (+/-)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: calaptin PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

Tebuconazole 98.0+%, TCI America™

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.822 MDL Number: MFCD02674797 InChI Key: PXMNMQRDXWABCY-UHFFFAOYSA-N Synonym: elite PubChem CID: 86102 ChEBI: CHEBI:83779 IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol SMILES: CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

Citalopram Hydrobromide 98.0+%, TCI America™

CAS: 59729-32-7 Molecular Formula: C20H22BrFN2O Molecular Weight (g/mol): 405.311 MDL Number: MFCD02101306 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: 1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

Ibutilide Hemifumarate 98.0+%, TCI America™

CAS: 122647-32-9 Molecular Formula: C44H76N4O10S2 Molecular Weight (g/mol): 885.23 MDL Number: MFCD01715410 InChI Key: PCIOHQNIRPWFMV-WXXKFALUSA-N Synonym: +--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1 PubChem CID: 5281065 IUPAC Name: (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide SMILES: CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O

Verapamil hydrochloride, 99.9%, MP Biomedicals™

CAS: 52-53-9 Molecular Formula: C27H38N2O4 Molecular Weight (g/mol): 454.611 InChI Key: SGTNSNPWRIOYBX-UHFFFAOYSA-N Synonym: calan PubChem CID: 2520 ChEBI: CHEBI:77733 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

4-Phenylbutylamine Hydrochloride 98.0+%, TCI America™

CAS: 30684-06-1 Molecular Formula: C10H16ClN Molecular Weight (g/mol): 185.695 MDL Number: MFCD03093616 InChI Key: DGDORWAJHREUEO-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane Hydrochloride PubChem CID: 44630065 IUPAC Name: 4-phenylbutan-1-amine;hydrochloride SMILES: C1=CC=C(C=C1)CCCCN.Cl

(S)-Citalopram Oxalate 98.0+%, TCI America™

CAS: 219861-08-2 Molecular Formula: C22H23FN2O5 Molecular Weight (g/mol): 414.433 MDL Number: MFCD06407826 InChI Key: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonym: 5u85dbw7lo PubChem CID: 146571 IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Mubritinib 98.0+%, TCI America™

CAS: 366017-09-6 Molecular Formula: C25H23F3N4O2 Molecular Weight (g/mol): 468.48 MDL Number: MFCD09954135 InChI Key: ZTFBIUXIQYRUNT-MDWZMJQESA-N Synonym: (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165 PubChem CID: 6444692 IUPAC Name: 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole SMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F

(±)-Verapamil Hydrochloride, MP Biomedicals™

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: calaptin PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

Tebuconazole, SPEX CertiPrep™

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.822 InChI Key: PXMNMQRDXWABCY-UHFFFAOYSA-N PubChem CID: 86102 ChEBI: CHEBI:83779 IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol SMILES: CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

Talsupram hydrochloride, Tocris Bioscience™

CAS: 25487-28-9 Molecular Formula: C20H26ClNS Molecular Weight (g/mol): 347.945 InChI Key: YMZCMCDSCRSIBS-UHFFFAOYSA-N Synonym: 1,3-dihydro-n,3,3-trimethyl-1-phenylbenzo c thiophene-1-propanamine hydrochloride PubChem CID: 69889594 IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N-methylpropan-1-amine;hydrochloride SMILES: CC1(C2=CC=CC=C2C(S1)(CCCNC)C3=CC=CC=C3)C.Cl

Escitalopram oxalate, Tocris Bioscience™

CAS: 219861-08-2 Molecular Formula: C22H23FN2O5 Molecular Weight (g/mol): 414.433 InChI Key: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonym: 5u85dbw7lo PubChem CID: 146571 IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Verapamil Hydrochloride, USP, 98-102%, Spectrum™

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.07 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride SMILES: [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC

SSR 146977 hydrochloride, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 264618-38-4 Molecular Formula: C35H43Cl3N4O2 Molecular Weight (g/mol): 658.105 InChI Key: HYPKKQPFHSNZBY-GXUZKUJRSA-N Synonym: n1-1-3-3r-1-benzoyl-3-3-3,4-dichlorophenyl-3-piperidinyl propyl-4-phenyl-piperidinyl-n,n-dimethylurea hydrochloride PubChem CID: 90488827 IUPAC Name: 3-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea;hydrochloride SMILES: CN(C)C(=O)NC1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5.Cl

Talopram hydrochloride, Tocris Bioscience™

CAS: 7013-41-4 Molecular Formula: C20H26ClNO Molecular Weight (g/mol): 331.884 InChI Key: JZXJIRQPHHWYGC-UHFFFAOYSA-N Synonym: 1-isobenzofuranpropanamine, 1,3-dihydro-n,3,3-trimethyl-1-phenyl-, hydrochloride PubChem CID: 71176 IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylpropan-1-amine;hydrochloride SMILES: CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=CC=C3)C.Cl

Verapamil hydrochloride, Tocris Bioscience™

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: calaptin PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

Ibutilide hemifumarate, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 122647-32-9 Molecular Formula: C44H76N4O10S2 Molecular Weight (g/mol): 885.23 InChI Key: PCIOHQNIRPWFMV-WXXKFALUSA-N Synonym: +--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1 PubChem CID: 5281065 IUPAC Name: (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide SMILES: CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O

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