Benzyl Derivatives
Salmeterol, TRC
CAS: 89365-50-4 Molecular Formula: C25 H37 N O4 Molecular Weight (g/mol): 415.57 Synonym: 1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-,1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-, (±)-,GR 33343X,Salmeterol IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol SMILES: OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
Methiozolin, TRC
CAS: 403640-27-7 Molecular Formula: C17 H17 F2 N O2 S Molecular Weight (g/mol): 337.3842 Synonym: Isoxazole, 5-[[(2,6-difluorophenyl)methoxy]methyl]-4,5-dihydro-5-methyl-3-(3-methyl-2-thienyl)-,5-[[(2,6-Difluorophenyl)methoxy]methyl]-4,5-dihydro-5-methyl-3-(3-methyl-2-thienyl)isoxazole,Methiozolin IUPAC Name: 5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(3-methylthiophen-2-yl)-4H-1,2-oxazole SMILES: Cc1ccsc1C2=NOC(C)(COCc3c(F)cccc3F)C2
Imazalil, TRC
CAS: 35554-44-0 Molecular Formula: C14 H14 Cl2 N2 O Molecular Weight (g/mol): 297.18 Synonym: Enilconazole,Imazalil,1-[(2RS)-2-(2,4-Dichlorophenyl)-2-(prop-2-enyloxy)ethyl]-1H-imidazole,1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-,1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]- (9CI),1-[2-(2,4-Dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-1H-imidazole,(R,S)-1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole,(RS)-1-[2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole,(±)-Imazalil,1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole,Amolden MP 100,Bromazil,CGA 41333,Clinafarm,Deccosil,Deccozil,Deccozil S 75,Enilconazole,FloPro IMZ,Florasan,Freshgard,Fungaflor,Fungazil,Imaverol,Magnate,NuZone,R 23979 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole SMILES: Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
Miconazole, TRC
CAS: 22916-47-8 Molecular Formula: C18 H14 Cl4 N2 O Molecular Weight (g/mol): 416.13 Synonym: Imidazole, 1-[2,4-dichloro-β-[(2,4-dichlorobenzyl)oxy]phenethyl]- (8CI),1-[2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole,(±)-Miconazole,Daktanol,Daktarin IV,Florid-F,Lauriad,Loramyc,MJR 1762,Miconazole,Monistat IV,NSC 170986,R 18134,Zimybase IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole SMILES: Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
Tioconazole, TRC
CAS: 65899-73-2 Molecular Formula: C16 H13 Cl3 N2 O S Molecular Weight (g/mol): 387.71 Synonym: Tioconazole,1-[(2RS)-2-[(2-Chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole IUPAC Name: 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole SMILES: Clc1ccc(C(Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1
Sesamol, TRC
CAS: 533-31-3 Molecular Formula: C7 H6 O3 Molecular Weight (g/mol): 138.12 Synonym: Sesamol,1,3-Benzodioxol-5-ol,Phenol, 3,4-(methylenedioxy)- (7CI,8CI),Sesamol (6CI),3,4-(Methylenedioxy)phenol,4-Hydroxy-1,2-methylenedioxybenzene,5-Hydroxy-1,3-benzodioxole,NSC 59256 IUPAC Name: 1,3-benzodioxol-5-ol SMILES: Oc1ccc2OCOc2c1
Bisoprolol Hemifumarate, TRC
CAS: 104344-23-2 Molecular Formula: 2 C18 H31 N O4 . C4 H4 O4 Molecular Weight (g/mol): 766.9582 Synonym: 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (2E)-2-butenedioate (2:1) (salt) (9CI),2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (E)-2-butenedioate (2:1) (salt),2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (±)-, (E)-2-butenedioate (2:1) (salt) (8CI),Bisoprolol fumarate,Bisoprolol hemifumarate,Concor,Detensiel,EMD 33512,Emcor,Emvoncor,Eurtadal,Isoten,Maintate,Monocor,Soprol,Zebeta IUPAC Name: (E)-but-2-enedioic acid;1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol SMILES: CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc2ccc(COCCOC(C)C)cc2.OC(=O)\C=C\C(=O)O
1,2-Phenylenediacetonitrile, TRC
CAS: 613-73-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.18 IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile SMILES: N#CCc1ccccc1CC#N
Tetrabenzyl Voglibose, TRC
CAS: 115250-39-0 Molecular Formula: C38 H45 N O7 Molecular Weight (g/mol): 627.77 Synonym: TBV;TETRABENZYL-VOGLIBOSE;Tetrabenzyl-voglibose(TBV);Voglibose TBV,3,4-Dideoxy-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-C-[(phenylmethoxy)methyl]-1,5,6-tris-O-(phenylmethyl)-D-epi-inositol IUPAC Name: 2-[[(1S,2S,3R,4S,5S)-2,3,4-tribenzyloxy-5-(benzyloxymethyl)-5-hydroxy-cyclohexyl]amino]propane-1,3-diol SMILES: OCC(CO)N[C@H]1C[C@](O)(COCc2ccccc2)[C@@H](OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1OCc5ccccc5
(±)-Doxylamine, TRC
CAS: 469-21-6 Molecular Formula: C17H22N2O Molecular Weight (g/mol): 270.37 Synonym: N,N-Dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine,2-[alpha-[2-(Dimethylamino)ethoxy]-alpha-methylbenzyl]pyridine,Doxylamine,LS 127; SMILES: CN(C)CCOC(C)(c1ccccc1)c2ccccn2
Desmethyl Doxylamine, TRC
CAS: 1221-70-1 Molecular Formula: C16H20N2O Molecular Weight (g/mol): 256.34 Synonym: Ethanamine, N,N-dimethyl-2-(phenyl-2-pyridinylmethoxy)-,Pyridine, 2-[α-[2-(dimethylamino)ethoxy]benzyl]- (6CI,7CI),Pyridine, 2-[α-[2-(trimethylamino)ethoxy]benzyl]- (8CI),N,N-Dimethyl-2-(phenyl-2-pyridinylmethoxy)ethanamine,N,N-Dimethyl-2-[(RS)-1-phenyl(pyridin-2-yl)methoxy]ethanamine SMILES: CN(C)CCOC(c1ccccc1)c2ccccn2
N-Desmethyldoxylamine, TRC
CAS: 78868-03-8 Molecular Formula: C16H20N2O Molecular Weight (g/mol): 256.34 Synonym: N-Methyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine,N-Methyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine,Demethyldoxylamine SMILES: CNCCOC(C)(c1ccccc1)c2ccccn2
rac Albuterol, TRC
CAS: 18559-94-9 Molecular Formula: C13 H21 N O3 Molecular Weight (g/mol): 239.31 Synonym: 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-,m-Xylene-α,α'-diol, α1-[(tert-butylamino)methyl]-4-hydroxy- (8CI),(±)-Albuterol,(±)-Salbutamol,1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-α1,α3-diol,2-(tert-Butylamino)-1-[(4-hydroxy-3-hydroxymethyl)phenyl]ethanol,4-Hydroxy-3-(hydroxymethyl)-α-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol,AH 3365,Airomir,Albuterol,DL-N-tert-Butyl-2(4-hydroxy-3-hydroxymethylphenyl)2-hydroxyethylamine,Eolene,Etinoline,Proventil HFA,Proventil Inhaler,Sabumol,Salamol EB,Salbutamol,Saventol,Spreor,Sultanol,Sultanol N,Ventalin Inhaler,Ventolin,Ventoline,Volmax,dl-Albuterol,dl-Salbutamol,m-Xylene α,α'-diol, α-[(tert-butylamino)methyl]-4-hydroxy-,α1-tert-Butylaminomethyl-4-hydroxy-m-xylene-α1,α3-diol IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol SMILES: CC(C)(C)NCC(O)c1ccc(O)c(CO)c1