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Phenylbutylamines

Organic compounds that contain a phenyl ring with a butyl group bonded to an amino functional group.
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Thermo Scientific Chemicals (±)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Formula molecolare: C27H38N2O4·HCl Molecular Weight (g/mol): 491.07 Numero MDL: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Sinonimo: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril 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

Sinonimo verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
Numero MDL MFCD00055208
PubChem CID 62969
Formula molecolare C27H38N2O4·HCl
CAS 152-11-4
Molecular Weight (g/mol) 491.07
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
2

Thermo Scientific Chemicals Citalopram hydrobromide

CAS: 59729-32-7 Formula molecolare: C20H21FN2O·HBr Molecular Weight (g/mol): 405.3 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Sinonimo: 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 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

Sinonimo 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
PubChem CID 77995
Formula molecolare C20H21FN2O·HBr
CAS 59729-32-7
Molecular Weight (g/mol) 405.3
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
3

4-phenylbutyl isothiocyanate, Thermo Scientific™

CAS: 61499-10-3 Formula molecolare: C11H13NS Molecular Weight (g/mol): 191.292 Numero MDL: MFCD00052335 InChI Key: CCBQOLFAKKAMLD-UHFFFAOYSA-N Sinonimo: 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci PubChem CID: 124881 IUPAC Name: 4-isothiocyanatobutylbenzene SMILES: C1=CC=C(C=C1)CCCCN=C=S

Sinonimo 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci
Numero MDL MFCD00052335
PubChem CID 124881
Formula molecolare C11H13NS
CAS 61499-10-3
Molecular Weight (g/mol) 191.292
SMILES C1=CC=C(C=C1)CCCCN=C=S
IUPAC Name 4-isothiocyanatobutylbenzene
InChI Key CCBQOLFAKKAMLD-UHFFFAOYSA-N
5

(S)-Citalopram, TRC

CAS: 128196-01-0 Formula molecolare: C20 H21 F N2 O Molecular Weight (g/mol): 324.39 Sinonimo: 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (S)-,(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,(+)-(S)-Citalopram,(+)-Citalopram,(S)-Citalopram,Escitalopram,S-(+)-Citalopram,Seroplex;5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)- IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile SMILES: CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinonimo 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (S)-,(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,(+)-(S)-Citalopram,(+)-Citalopram,(S)-Citalopram,Escitalopram,S-(+)-Citalopram,Seroplex;5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-
Formula molecolare C20 H21 F N2 O
CAS 128196-01-0
Molecular Weight (g/mol) 324.39
SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
IUPAC Name (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
8

Citalopram N-Oxide, TRC

CAS: 63284-72-0 Formula molecolare: C20 H21 F N2 O2 Molecular Weight (g/mol): 340.39 Sinonimo: 5-Isobenzofurancarbonitrile, 1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, N1-oxide,1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile,Citalopram N-oxide,Lu 11-305 IUPAC Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide SMILES: C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinonimo 5-Isobenzofurancarbonitrile, 1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, N1-oxide,1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile,Citalopram N-oxide,Lu 11-305
Formula molecolare C20 H21 F N2 O2
CAS 63284-72-0
Molecular Weight (g/mol) 340.39
SMILES C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
IUPAC Name 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide
9

rac Desmethyl Citalopram Hydrobromide, TRC

CAS: 1188264-72-3 Formula molecolare: C19 H19 F N2 O . Br H Molecular Weight (g/mol): 391.28 Sinonimo: 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrobromide (1:1),(1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide,Desmethylcitalopram Hydrobromide,rac Desmethyl Citalopram Hydrobromide IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinonimo 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrobromide (1:1),(1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide,Desmethylcitalopram Hydrobromide,rac Desmethyl Citalopram Hydrobromide
Formula molecolare C19 H19 F N2 O . Br H
CAS 1188264-72-3
Molecular Weight (g/mol) 391.28
SMILES Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
IUPAC Name 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
10

Di-n-octyldichlorotin, TRC

CAS: 3542-36-7 Formula molecolare: C16 H34 Cl2 Sn Molecular Weight (g/mol): 416.06 Sinonimo: Di-n-Octyltin-dichloride,Stannane, dichlorodioctyl-,Dioctyltin dichloride (6CI),Tin, dichlorodioctyl- (7CI),Dichlorodioctylstannane,Dichlorodioctyltin,Dioctyldichlorotin,Dioctylstannyl dichloride,NSC 102574 IUPAC Name: dichloro(dioctyl)stannane SMILES: CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC

Sinonimo Di-n-Octyltin-dichloride,Stannane, dichlorodioctyl-,Dioctyltin dichloride (6CI),Tin, dichlorodioctyl- (7CI),Dichlorodioctylstannane,Dichlorodioctyltin,Dioctyldichlorotin,Dioctylstannyl dichloride,NSC 102574
Formula molecolare C16 H34 Cl2 Sn
CAS 3542-36-7
Molecular Weight (g/mol) 416.06
SMILES CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC
IUPAC Name dichloro(dioctyl)stannane
11

Citalopram, Hydrobromide Salt, TRC

CAS: 59729-32-7 Formula molecolare: C20 H21 F N2 O . Br H Molecular Weight (g/mol): 405.3 Sinonimo: Citalopram Hydrobromide,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, hydrobromide (1:1),5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, monohydrobromide (9CI),(±)-Citalopram hydrobromide,Apertia,Celexa,Cheer,Cipram,Cipramil,Citopram,Elopram,Lecital,Lu 10-171B,Lupram,Pramcit,Prisdal,S-Pram,Sepram,Seropram,[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-isobenzofuran-5-carbonitrile hydrobromide IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinonimo Citalopram Hydrobromide,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, hydrobromide (1:1),5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, monohydrobromide (9CI),(±)-Citalopram hydrobromide,Apertia,Celexa,Cheer,Cipram,Cipramil,Citopram,Elopram,Lecital,Lu 10-171B,Lupram,Pramcit,Prisdal,S-Pram,Sepram,Seropram,[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-isobenzofuran-5-carbonitrile hydrobromide
Formula molecolare C20 H21 F N2 O . Br H
CAS 59729-32-7
Molecular Weight (g/mol) 405.3
SMILES Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
12

Ibutilide Fumarate, TRC

CAS: 122647-32-9 Formula molecolare: 2 C20 H36 N2 O3 S . C4 H4 O4 Molecular Weight (g/mol): 885.22 Sinonimo: Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1),Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1) (salt) (9CI),Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (±)-, (E)-2-butenedioate (2:1) (salt),Corvert,Ibutilide fumarate,Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (E)-2-butenedioate (2:1) (salt),U 70226E IUPAC Name: (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide SMILES: CCCCCCCN(CC)CCCC(O)c1ccc(NS(=O)(=O)C)cc1.CCCCCCCN(CC)CCCC(O)c2ccc(NS(=O)(=O)C)cc2.OC(=O)\C=C\C(=O)O

Sinonimo Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1),Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1) (salt) (9CI),Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (±)-, (E)-2-butenedioate (2:1) (salt),Corvert,Ibutilide fumarate,Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (E)-2-butenedioate (2:1) (salt),U 70226E
Formula molecolare 2 C20 H36 N2 O3 S . C4 H4 O4
CAS 122647-32-9
Molecular Weight (g/mol) 885.22
SMILES CCCCCCCN(CC)CCCC(O)c1ccc(NS(=O)(=O)C)cc1.CCCCCCCN(CC)CCCC(O)c2ccc(NS(=O)(=O)C)cc2.OC(=O)\C=C\C(=O)O
IUPAC Name (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
13

rac Desfluoro Citalopram Oxalate, TRC

CAS: 1093072-86-6 Formula molecolare: C20 H22 N2 O . C2 H2 O4 Molecular Weight (g/mol): 396.44 Sinonimo: 1-(3-Dimethylaminopropyl)-1-(phenyl)-5-phthalan-carbonitrile Oxalate,1-[3-(Dimethylamino)propyl]-1,3-dihydro-1-phenyl-5-isobenzofurancarbonitrile Ethanedioate (1:1) IUPAC Name: 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccccc3.OC(=O)C(=O)O

Sinonimo 1-(3-Dimethylaminopropyl)-1-(phenyl)-5-phthalan-carbonitrile Oxalate,1-[3-(Dimethylamino)propyl]-1,3-dihydro-1-phenyl-5-isobenzofurancarbonitrile Ethanedioate (1:1)
Formula molecolare C20 H22 N2 O . C2 H2 O4
CAS 1093072-86-6
Molecular Weight (g/mol) 396.44
SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccccc3.OC(=O)C(=O)O
IUPAC Name 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid
14

Anipamil, TRC

CAS: 83200-10-6 Formula molecolare: C34H52N2O2 Molecular Weight (g/mol): 520.8 Sinonimo: alpha-Dodecyl-3-methoxy-alpha-[3-[[2-(3-methoxyphenyl)ethyl]methylamino]propyl]benzeneacetonitrile ; IUPAC Name: 2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile SMILES: CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2

Sinonimo alpha-Dodecyl-3-methoxy-alpha-[3-[[2-(3-methoxyphenyl)ethyl]methylamino]propyl]benzeneacetonitrile ;
Formula molecolare C34H52N2O2
CAS 83200-10-6
Molecular Weight (g/mol) 520.8
SMILES CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2
IUPAC Name 2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile
15

Tebuconazole, TRC

CAS: 107534-96-3 Formula molecolare: C16H22ClN3O Molecular Weight (g/mol): 307.82 Sinonimo: 1H-1,2,4-Triazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)- (9CI, ACI),1H-1,2,4-Triazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-, (±)- (ZCI),α-[2-(4-Chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol (ACI),(±)-Tebuconazole,1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol,Atlas,BAY-HWG 1608,Corail,Dedalus 25 WDG,Elite,Elite (fungicide),Ethyltrianol,Etiltrianol,Fenetrazole,Folicur,Folicur 200CE,Folicur 200EC,Folicur 3.6F,Gelseal,Gelseal (fungicide),Greenseal,Hao Li-ke,Helicur 250EW,Horizon,Horizon (fungicide),Horizont,HWG 1608,Microban S 2142,Microban TZ,Miresa,Monsoon,ONLY ONE Flowable,Orius,Orius (fungicide),Orius 25EC,Preventol A 8,Raxil,Raxil 2DS,Raxil Ultra,Rival 200EC,Riza,Rosacur,S 2142,Silvacure,Sparta,Sparta 250EW,Tebu 250EW,Tebu 60,Tebuconazole,Terbutrazole,Timbertreat T IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol SMILES: CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2

Sinonimo 1H-1,2,4-Triazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)- (9CI, ACI),1H-1,2,4-Triazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-, (±)- (ZCI),α-[2-(4-Chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol (ACI),(±)-Tebuconazole,1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol,Atlas,BAY-HWG 1608,Corail,Dedalus 25 WDG,Elite,Elite (fungicide),Ethyltrianol,Etiltrianol,Fenetrazole,Folicur,Folicur 200CE,Folicur 200EC,Folicur 3.6F,Gelseal,Gelseal (fungicide),Greenseal,Hao Li-ke,Helicur 250EW,Horizon,Horizon (fungicide),Horizont,HWG 1608,Microban S 2142,Microban TZ,Miresa,Monsoon,ONLY ONE Flowable,Orius,Orius (fungicide),Orius 25EC,Preventol A 8,Raxil,Raxil 2DS,Raxil Ultra,Rival 200EC,Riza,Rosacur,S 2142,Silvacure,Sparta,Sparta 250EW,Tebu 250EW,Tebu 60,Tebuconazole,Terbutrazole,Timbertreat T
Formula molecolare C16H22ClN3O
CAS 107534-96-3
Molecular Weight (g/mol) 307.82
SMILES CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
IUPAC Name 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol