Phenylbutylamines

Phenylbutylamines
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(+/-)-Verapamil hydrochloride, 99+%
CAS: 152-11-4 Formule moléculaire: C27H39ClN2O4 Poids moléculaire (g/mol): 491.069 Numéro MDL: MFCD00055208 Clé InChI: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonyme: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril CID PubChem: 62969 Nom IUPAC: 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
Poids moléculaire (g/mol) | 491.069 |
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Synonyme | verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril |
Numéro MDL | MFCD00055208 |
CAS | 152-11-4 |
CID PubChem | 62969 |
Nom IUPAC | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride |
Clé InChI | DOQPXTMNIUCOSY-UHFFFAOYSA-N |
SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl |
Formule moléculaire | C27H39ClN2O4 |
(S)-Citalopram Oxalate 98.0+%, TCI America™
CAS: 219861-08-2 Formule moléculaire: C22H23FN2O5 Poids moléculaire (g/mol): 414.433 Numéro MDL: MFCD06407826 Clé InChI: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonyme: escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate CID PubChem: 146571 Nom IUPAC: (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
Poids moléculaire (g/mol) | 414.433 |
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Synonyme | escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate |
Numéro MDL | MFCD06407826 |
CAS | 219861-08-2 |
CID PubChem | 146571 |
Nom IUPAC | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid |
Clé InChI | KTGRHKOEFSJQNS-BDQAORGHSA-N |
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 |
Formule moléculaire | C22H23FN2O5 |
Mubritinib 98.0+%, TCI America™
CAS: 366017-09-6 Formule moléculaire: C25H23F3N4O2 Poids moléculaire (g/mol): 468.48 Numéro MDL: MFCD09954135 Clé InChI: ZTFBIUXIQYRUNT-MDWZMJQESA-N Synonyme: (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165 CID PubChem: 6444692 Nom IUPAC: 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
Poids moléculaire (g/mol) | 468.48 |
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Synonyme | (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165 |
Numéro MDL | MFCD09954135 |
CAS | 366017-09-6 |
CID PubChem | 6444692 |
Nom IUPAC | 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole |
Clé InChI | ZTFBIUXIQYRUNT-MDWZMJQESA-N |
SMILES | C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F |
Formule moléculaire | C25H23F3N4O2 |
Ibutilide Hemifumarate 98.0+%, TCI America™
CAS: 122647-32-9 Formule moléculaire: C44H76N4O10S2 Poids moléculaire (g/mol): 885.23 Numéro MDL: MFCD01715410 Clé InChI: PCIOHQNIRPWFMV-WXXKFALUNA-N Synonyme: ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate CID PubChem: 5281065 Nom IUPAC: (2E)-but-2-enedioic acid; bis(N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide) SMILES: OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
Poids moléculaire (g/mol) | 885.23 |
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Synonyme | ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate |
Numéro MDL | MFCD01715410 |
CAS | 122647-32-9 |
CID PubChem | 5281065 |
Nom IUPAC | (2E)-but-2-enedioic acid; bis(N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide) |
Clé InChI | PCIOHQNIRPWFMV-WXXKFALUNA-N |
SMILES | OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 |
Formule moléculaire | C44H76N4O10S2 |
4-Phenylbutylamine Hydrochloride 98.0+%, TCI America™
CAS: 30684-06-1 Formule moléculaire: C10H16ClN Poids moléculaire (g/mol): 185.695 Numéro MDL: MFCD03093616 Clé InChI: DGDORWAJHREUEO-UHFFFAOYSA-N Synonyme: 1-Amino-4-phenylbutane Hydrochloride CID PubChem: 44630065 Nom IUPAC: 4-phenylbutan-1-amine;hydrochloride SMILES: C1=CC=C(C=C1)CCCCN.Cl
Poids moléculaire (g/mol) | 185.695 |
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Synonyme | 1-Amino-4-phenylbutane Hydrochloride |
Numéro MDL | MFCD03093616 |
CAS | 30684-06-1 |
CID PubChem | 44630065 |
Nom IUPAC | 4-phenylbutan-1-amine;hydrochloride |
Clé InChI | DGDORWAJHREUEO-UHFFFAOYSA-N |
SMILES | C1=CC=C(C=C1)CCCCN.Cl |
Formule moléculaire | C10H16ClN |
4-Phenylbutylamine 98.0+%, TCI America™
CAS: 13214-66-9 Formule moléculaire: C10H15N Poids moléculaire (g/mol): 149.237 Numéro MDL: MFCD00008231 Clé InChI: AGNFWIZBEATIAK-UHFFFAOYSA-N Synonyme: 1-Amino-4-phenylbutane CID PubChem: 83242 Nom IUPAC: 4-phenylbutan-1-amine SMILES: C1=CC=C(C=C1)CCCCN
Poids moléculaire (g/mol) | 149.237 |
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Synonyme | 1-Amino-4-phenylbutane |
Numéro MDL | MFCD00008231 |
CAS | 13214-66-9 |
CID PubChem | 83242 |
Nom IUPAC | 4-phenylbutan-1-amine |
Clé InChI | AGNFWIZBEATIAK-UHFFFAOYSA-N |
SMILES | C1=CC=C(C=C1)CCCCN |
Formule moléculaire | C10H15N |
Butoconazole Nitrate 98.0+%, TCI America™
CAS: 64872-77-1 Formule moléculaire: C19H18Cl3N3O3S Poids moléculaire (g/mol): 474.781 Numéro MDL: MFCD00058159 Clé InChI: ZHPWRQIPPNZNML-UHFFFAOYSA-N Synonyme: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate CID PubChem: 47471 ChEBI: CHEBI:3241 Nom IUPAC: 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-]
Poids moléculaire (g/mol) | 474.781 |
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Synonyme | 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate |
Numéro MDL | MFCD00058159 |
CAS | 64872-77-1 |
CID PubChem | 47471 |
ChEBI | CHEBI:3241 |
Nom IUPAC | 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid |
Clé InChI | ZHPWRQIPPNZNML-UHFFFAOYSA-N |
SMILES | C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-] |
Formule moléculaire | C19H18Cl3N3O3S |
Citalopram Hydrobromide 98.0+%, TCI America™
CAS: 59729-32-7 Formule moléculaire: C20H22BrFN2O Poids moléculaire (g/mol): 405.311 Numéro MDL: MFCD02101306 Clé InChI: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonyme: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan CID PubChem: 77995 Nom IUPAC: 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
Poids moléculaire (g/mol) | 405.311 |
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Synonyme | citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan |
Numéro MDL | MFCD02101306 |
CAS | 59729-32-7 |
CID PubChem | 77995 |
Nom IUPAC | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide |
Clé InChI | WIHMBLDNRMIGDW-UHFFFAOYSA-N |
SMILES | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br |
Formule moléculaire | C20H22BrFN2O |
Tebuconazole 98.0+%, TCI America™
CAS: 107534-96-3 Formule moléculaire: C16H22ClN3O Poids moléculaire (g/mol): 307.82 Numéro MDL: MFCD02674797 Clé InChI: PXMNMQRDXWABCY-UHFFFAOYNA-N Synonyme: tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8 CID PubChem: 86102 ChEBI: CHEBI:83779 Nom IUPAC: 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol SMILES: CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
Poids moléculaire (g/mol) | 307.82 |
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Synonyme | tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8 |
Numéro MDL | MFCD02674797 |
CAS | 107534-96-3 |
CID PubChem | 86102 |
ChEBI | CHEBI:83779 |
Nom IUPAC | 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol |
Clé InChI | PXMNMQRDXWABCY-UHFFFAOYNA-N |
SMILES | CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 |
Formule moléculaire | C16H22ClN3O |
Verapamil Hydrochloride 98.0+%, TCI America™
CAS: 152-11-4 Formule moléculaire: C27H39ClN2O4 Poids moléculaire (g/mol): 491.069 Numéro MDL: MFCD00055208 Clé InChI: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonyme: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril CID PubChem: 62969 Nom IUPAC: 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
Poids moléculaire (g/mol) | 491.069 |
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Synonyme | verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril |
Numéro MDL | MFCD00055208 |
CAS | 152-11-4 |
CID PubChem | 62969 |
Nom IUPAC | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride |
Clé InChI | DOQPXTMNIUCOSY-UHFFFAOYSA-N |
SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl |
Formule moléculaire | C27H39ClN2O4 |