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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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1

Tebuconazole, TRC

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.82 Synonym: 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

CAS 107534-96-3
Molecular Weight (g/mol) 307.82
SMILES CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
Synonym 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
Molecular Formula C16H22ClN3O
2

Anipamil, TRC

CAS: 83200-10-6 Molecular Formula: C34H52N2O2 Molecular Weight (g/mol): 520.8 Synonym: 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

CAS 83200-10-6
Molecular Weight (g/mol) 520.8
SMILES CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2
Synonym 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
Molecular Formula C34H52N2O2
3

Chlorocitalopram, Hydrobromide, TRC

CAS: 64169-58-0 Molecular Formula: C20 H21 Cl N2 O . Br H Molecular Weight (g/mol): 421.76 IUPAC Name: 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(Cl)cc3

CAS 64169-58-0
Molecular Weight (g/mol) 421.76
SMILES Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(Cl)cc3
IUPAC Name 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
Molecular Formula C20 H21 Cl N2 O . Br H
4

(S)-Citalopram, TRC

CAS: 128196-01-0 Molecular Formula: C20 H21 F N2 O Molecular Weight (g/mol): 324.39 Synonym: 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

CAS 128196-01-0
Molecular Weight (g/mol) 324.39
SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 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
Molecular Formula C20 H21 F N2 O
5

Ibutilide Fumarate, TRC

CAS: 122647-32-9 Molecular Formula: 2 C20 H36 N2 O3 S . C4 H4 O4 Molecular Weight (g/mol): 885.22 Synonym: 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

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
Synonym 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
Molecular Formula 2 C20 H36 N2 O3 S . C4 H4 O4
6

Nor Verapamil Hydrochloride, TRC

CAS: 67812-42-4 Molecular Formula: C26H37ClN2O4 Molecular Weight (g/mol): 477.04 Synonym: Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, hydrochloride (1:1),Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, monohydrochloride (9CI),Valeronitrile, 5-[(3,4-dimethoxyphenethyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-, hydrochloride (7CI),D 591 HCl,Norverapamil hydrochloride,(2RS)-2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)-ethyl]amino]-2-(1-methylethyl)pentanenitrile hydrochloride,N-Norverapamil hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: Cl.COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

CAS 67812-42-4
Molecular Weight (g/mol) 477.04
SMILES Cl.COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Synonym Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, hydrochloride (1:1),Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, monohydrochloride (9CI),Valeronitrile, 5-[(3,4-dimethoxyphenethyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-, hydrochloride (7CI),D 591 HCl,Norverapamil hydrochloride,(2RS)-2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)-ethyl]amino]-2-(1-methylethyl)pentanenitrile hydrochloride,N-Norverapamil hydrochloride
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile;hydrochloride
Molecular Formula C26H37ClN2O4
7

3-Hydroxy Citalopram, TRC

CAS: 411221-53-9 Molecular Formula: C20 H21 F N2 O2 Molecular Weight (g/mol): 340.39 Synonym: 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 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-2-benzofuran-5-carbonitrile SMILES: CN(C)CCCC1(OC(O)c2cc(ccc12)C#N)c3ccc(F)cc3

CAS 411221-53-9
Molecular Weight (g/mol) 340.39
SMILES CN(C)CCCC1(OC(O)c2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 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
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-2-benzofuran-5-carbonitrile
Molecular Formula C20 H21 F N2 O2
8

Citalopram N-Oxide, TRC

CAS: 63284-72-0 Molecular Formula: C20 H21 F N2 O2 Molecular Weight (g/mol): 340.39 Synonym: 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

CAS 63284-72-0
Molecular Weight (g/mol) 340.39
SMILES C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 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
Molecular Formula C20 H21 F N2 O2
9

Di-n-octyldichlorotin, TRC

CAS: 3542-36-7 Molecular Formula: C16 H34 Cl2 Sn Molecular Weight (g/mol): 416.06 Synonym: 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

CAS 3542-36-7
Molecular Weight (g/mol) 416.06
SMILES CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC
Synonym Di-n-Octyltin-dichloride,Stannane, dichlorodioctyl-,Dioctyltin dichloride (6CI),Tin, dichlorodioctyl- (7CI),Dichlorodioctylstannane,Dichlorodioctyltin,Dioctyldichlorotin,Dioctylstannyl dichloride,NSC 102574
IUPAC Name dichloro(dioctyl)stannane
Molecular Formula C16 H34 Cl2 Sn
10

Citalopram, Hydrobromide Salt, TRC

CAS: 59729-32-7 Molecular Formula: C20 H21 F N2 O . Br H Molecular Weight (g/mol): 405.3 Synonym: 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

CAS 59729-32-7
Molecular Weight (g/mol) 405.3
SMILES Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 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
Molecular Formula C20 H21 F N2 O . Br H
11

rac Desmethyl Citalopram Hydrochloride, TRC

CAS: 97743-99-2 Molecular Formula: C19 H19 F N2 O . Cl H Molecular Weight (g/mol): 346.83 Synonym: (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 IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride SMILES: Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 97743-99-2
Molecular Weight (g/mol) 346.83
SMILES Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym (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
IUPAC Name 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride
Molecular Formula C19 H19 F N2 O . Cl H
12

rac Didemethyl Citalopram Hydrochloride, TRC

CAS: 1189694-81-2 Molecular Formula: C18 H17 F N2 O . H Cl Molecular Weight (g/mol): 332.8 Synonym: 5-Isobenzofurancarbonitrile, 1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-, hydrochloride (1:1),1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile hydrochloride,1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrochloride,Didemethylcitalopram hydrochloride,Didesmethylcitalopram hydrochloride,Dinorcitalopram hydrochloride,Lu 11-161 HCl,N-Desmethylcitalopram hydrochloride,rac-Didesmethylcitalopram hydrochloride,N,N-Didesmethyl citalopram hydrochloride,N,N-Didesmethylcitalopram hydrochloride,rac Didemethyl citalopram hydrochloride IUPAC Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride SMILES: Cl.NCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 1189694-81-2
Molecular Weight (g/mol) 332.8
SMILES Cl.NCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-, hydrochloride (1:1),1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile hydrochloride,1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrochloride,Didemethylcitalopram hydrochloride,Didesmethylcitalopram hydrochloride,Dinorcitalopram hydrochloride,Lu 11-161 HCl,N-Desmethylcitalopram hydrochloride,rac-Didesmethylcitalopram hydrochloride,N,N-Didesmethyl citalopram hydrochloride,N,N-Didesmethylcitalopram hydrochloride,rac Didemethyl citalopram hydrochloride
IUPAC Name 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride
Molecular Formula C18 H17 F N2 O . H Cl
13

rac Desmethyl Citalopram Hydrobromide, TRC

CAS: 1188264-72-3 Molecular Formula: C19 H19 F N2 O . Br H Molecular Weight (g/mol): 391.28 Synonym: 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

CAS 1188264-72-3
Molecular Weight (g/mol) 391.28
SMILES Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 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
Molecular Formula C19 H19 F N2 O . Br H
14

rac Desfluoro Citalopram Oxalate, TRC

CAS: 1093072-86-6 Molecular Formula: C20 H22 N2 O . C2 H2 O4 Molecular Weight (g/mol): 396.44 Synonym: 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

CAS 1093072-86-6
Molecular Weight (g/mol) 396.44
SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccccc3.OC(=O)C(=O)O
Synonym 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
Molecular Formula C20 H22 N2 O . C2 H2 O4