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Fenilbutilamina

Compuestos orgánicos que contienen un anillo de fenilo con un grupo butilo unido a un grupo aminofuncional.
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1

Thermo Scientific Chemicals Clorhidrato de (±)-verapamilo, 99+ %

CAS: 152-11-4 Fórmula molecular: C27H38N2O4·HCl Peso molecular (g/mol): 491.07 Número MDL: MFCD00055208 Clave InChI: DOQPXTMNIUCOSY-UHFFFAOYSA-N Sinónimo: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 Nombre IUPAC: 2-(3,4-dimetoxifenilo)-5-[2-(3,4-dimetoxifenil)etil-metilamino]-2-propan-2-ilpentanonitrilo;clorhidrato SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

Sinónimo verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
Clave InChI DOQPXTMNIUCOSY-UHFFFAOYSA-N
PubChem CID 62969
Fórmula molecular C27H38N2O4·HCl
CAS 152-11-4
Peso molecular (g/mol) 491.07
Número MDL MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Nombre IUPAC 2-(3,4-dimetoxifenilo)-5-[2-(3,4-dimetoxifenil)etil-metilamino]-2-propan-2-ilpentanonitrilo;clorhidrato
2

Thermo Scientific Chemicals Hidrobromuro de Citalopram

CAS: 59729-32-7 Fórmula molecular: C20H21FN2O·HBr Peso molecular (g/mol): 405.3 Clave InChI: WIHMBLDNRMIGDW-UHFFFAOYSA-N Sinónimo: 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 Nombre IUPAC: 1-[3-(dimetilamino)propil]-1-(4-fluorofenil)-3H-2-benzofurano-5-carbonitrilo;hidrobromuro SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

Sinónimo 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
Clave InChI WIHMBLDNRMIGDW-UHFFFAOYSA-N
PubChem CID 77995
Fórmula molecular C20H21FN2O·HBr
CAS 59729-32-7
Peso molecular (g/mol) 405.3
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Nombre IUPAC 1-[3-(dimetilamino)propil]-1-(4-fluorofenil)-3H-2-benzofurano-5-carbonitrilo;hidrobromuro
3

Isotiocianato de 4-fenilbutilo, Thermo Scientific™

CAS: 61499-10-3 Fórmula molecular: C11H13NS Peso molecular (g/mol): 191.292 Número MDL: MFCD00052335 Clave InChI: CCBQOLFAKKAMLD-UHFFFAOYSA-N Sinónimo: 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 Nombre IUPAC: 4-isotiocianatobutilbenceno SMILES: C1=CC=C(C=C1)CCCCN=C=S

Sinónimo 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
Clave InChI CCBQOLFAKKAMLD-UHFFFAOYSA-N
PubChem CID 124881
Fórmula molecular C11H13NS
CAS 61499-10-3
Peso molecular (g/mol) 191.292
Número MDL MFCD00052335
SMILES C1=CC=C(C=C1)CCCCN=C=S
Nombre IUPAC 4-isotiocianatobutilbenceno
5

rac Desmetil Citalopram Hidrobromuro, TRC

CAS: 1188264-72-3 Fórmula molecular: C19 H19 F N2 O . Br H Peso molecular (g/mol): 391.28 Sinónimo: 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 Nombre IUPAC: 1-(4-fluorofenil)-1-[3-(metilamino)propil]-3H-2-benzofurano-5-carbonitrilo; Hidrobromuro SMILES: Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinónimo 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
Fórmula molecular C19 H19 F N2 O . Br H
CAS 1188264-72-3
Peso molecular (g/mol) 391.28
SMILES Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Nombre IUPAC 1-(4-fluorofenil)-1-[3-(metilamino)propil]-3H-2-benzofurano-5-carbonitrilo; Hidrobromuro
7

(S)-Citalopram, TRC

CAS: 128196-01-0 Fórmula molecular: C20 H21 F N2 O Peso molecular (g/mol): 324.39 Sinónimo: 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)- Nombre IUPAC: (1S)-1-[3-(dimetilamino)propilo]-1-(4-fluorofenilo)-3H-2-benzofurano-5-carbonitrilo SMILES: CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinónimo 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)-
Fórmula molecular C20 H21 F N2 O
CAS 128196-01-0
Peso molecular (g/mol) 324.39
SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Nombre IUPAC (1S)-1-[3-(dimetilamino)propilo]-1-(4-fluorofenilo)-3H-2-benzofurano-5-carbonitrilo
9

Citalopram N-óxido, TRC

CAS: 63284-72-0 Fórmula molecular: C20 H21 F N2 O2 Peso molecular (g/mol): 340.39 Sinónimo: 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 Nombre IUPAC: 3-[5-ciano-1-(4-fluorofenil)-3H-2-benzofurano-1-il]-N,N-dimetilpropan-1-óxido de amina SMILES: C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinónimo 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
Fórmula molecular C20 H21 F N2 O2
CAS 63284-72-0
Peso molecular (g/mol) 340.39
SMILES C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Nombre IUPAC 3-[5-ciano-1-(4-fluorofenil)-3H-2-benzofurano-1-il]-N,N-dimetilpropan-1-óxido de amina
10

Citalopram, sal de hidrobromuro, TRC

CAS: 59729-32-7 Fórmula molecular: C20 H21 F N2 O . Br H Peso molecular (g/mol): 405.3 Sinónimo: 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 Nombre IUPAC: 1-[3-(dimetilamino)propil]-1-(4-fluorofenil)-3H-2-benzofurano-5-carbonitrilo;hidrobromuro SMILES: Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinónimo 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
Fórmula molecular C20 H21 F N2 O . Br H
CAS 59729-32-7
Peso molecular (g/mol) 405.3
SMILES Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Nombre IUPAC 1-[3-(dimetilamino)propil]-1-(4-fluorofenil)-3H-2-benzofurano-5-carbonitrilo;hidrobromuro
11

Di-n-octildiclorina, TRC

CAS: 3542-36-7 Fórmula molecular: C16 H34 Cl2 Sn Peso molecular (g/mol): 416.06 Sinónimo: Di-n-Octyltin-dichloride,Stannane, dichlorodioctyl-,Dioctyltin dichloride (6CI),Tin, dichlorodioctyl- (7CI),Dichlorodioctylstannane,Dichlorodioctyltin,Dioctyldichlorotin,Dioctylstannyl dichloride,NSC 102574 Nombre IUPAC: dicloro(dioctil)estannano SMILES: CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC

Sinónimo Di-n-Octyltin-dichloride,Stannane, dichlorodioctyl-,Dioctyltin dichloride (6CI),Tin, dichlorodioctyl- (7CI),Dichlorodioctylstannane,Dichlorodioctyltin,Dioctyldichlorotin,Dioctylstannyl dichloride,NSC 102574
Fórmula molecular C16 H34 Cl2 Sn
CAS 3542-36-7
Peso molecular (g/mol) 416.06
SMILES CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC
Nombre IUPAC dicloro(dioctil)estannano
12

3,4-Dimetoxi-Alfa-[3-(metilamino)propilo]-Alfa-(1-metiletil)-Benzenoacetonitrilo Cloruro, TRC

CAS: 67775-97-7 Fórmula molecular: C17 H26 N2 O2 . Cl H Peso molecular (g/mol): 326.86 Sinónimo: (2RS)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile Hydrochloride,Verapamil Hydrochloride Imp. F (EP) as Hydrochloride,Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, hydrochloride (1:1) (ACI),Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, monohydrochloride (9CI),3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile monohydrochloride Nombre IUPAC: 2-(3,4-dimetoxifenil)-5-(metilamino)-2-propan-2-ilpentanenitrilo; Cloruro SMILES: Cl.CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1

Sinónimo (2RS)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile Hydrochloride,Verapamil Hydrochloride Imp. F (EP) as Hydrochloride,Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, hydrochloride (1:1) (ACI),Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, monohydrochloride (9CI),3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile monohydrochloride
Fórmula molecular C17 H26 N2 O2 . Cl H
CAS 67775-97-7
Peso molecular (g/mol) 326.86
SMILES Cl.CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1
Nombre IUPAC 2-(3,4-dimetoxifenil)-5-(metilamino)-2-propan-2-ilpentanenitrilo; Cloruro
13

rac Didemetil Citalopram-d6 Cloruro, TRC

CAS: 1189865-88-0 Fórmula molecular: C18H12D6ClFN2O Peso molecular (g/mol): 338.84 SMILES: Cl.[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])C1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Fórmula molecular C18H12D6ClFN2O
CAS 1189865-88-0
Peso molecular (g/mol) 338.84
SMILES Cl.[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])C1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
14

rac Desmetil Citalopram Hidrocloruro, TRC

CAS: 97743-99-2 Fórmula molecular: C19 H19 F N2 O . Cl H Peso molecular (g/mol): 346.83 Sinónimo: (1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride,Citalopram Hydrobromide Imp. D (EP) as Hydrochloride,Desmethylcitalopram Hydrochloride,1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-5-isobenzofurancarbonitrile monohydrochloride,Lu 11-109C Nombre IUPAC: 1-(4-fluorofenil)-1-[3-(metilamino)propil]-3H-2-benzofurano-5-carbonitrilo; Cloruro SMILES: Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

Sinónimo (1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride,Citalopram Hydrobromide Imp. D (EP) as Hydrochloride,Desmethylcitalopram Hydrochloride,1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-5-isobenzofurancarbonitrile monohydrochloride,Lu 11-109C
Fórmula molecular C19 H19 F N2 O . Cl H
CAS 97743-99-2
Peso molecular (g/mol) 346.83
SMILES Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Nombre IUPAC 1-(4-fluorofenil)-1-[3-(metilamino)propil]-3H-2-benzofurano-5-carbonitrilo; Cloruro
15

3-Hidroxi-Citalopram, TRC

CAS: 411221-53-9 Fórmula molecular: C20 H21 F N2 O2 Peso molecular (g/mol): 340.39 Sinónimo: 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-5-isobenzofurancarbonitrile,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-1,3-dihydroiso-benzofuran-5-carbonitrile,3-Hydroxy Citalopram,3-Hydroxycitalopram Nombre IUPAC: 1-[3-(dimetilamino)propilo]-1-(4-fluorofenilo)-3-hidroxi-3H-2-benzofurano-5-carbonitrilo SMILES: CN(C)CCCC1(OC(O)c2cc(ccc12)C#N)c3ccc(F)cc3

Sinónimo 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-5-isobenzofurancarbonitrile,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-1,3-dihydroiso-benzofuran-5-carbonitrile,3-Hydroxy Citalopram,3-Hydroxycitalopram
Fórmula molecular C20 H21 F N2 O2
CAS 411221-53-9
Peso molecular (g/mol) 340.39
SMILES CN(C)CCCC1(OC(O)c2cc(ccc12)C#N)c3ccc(F)cc3
Nombre IUPAC 1-[3-(dimetilamino)propilo]-1-(4-fluorofenilo)-3-hidroxi-3H-2-benzofurano-5-carbonitrilo