Phenylpropanoic acids
Indoprofen, TRC
CAS: 31842-01-0 Molecular Formula: C17 H15 N O3 Molecular Weight (g/mol): 281.31 Synonym: Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-methyl-,(±)-Indoprofen,1-Oxo-2-[p-[(α-methyl)carboxymethyl]phenyl]isoindoline,2-[4-(1-Oxo-2-isoindolinyl)phenyl]propanoic acid,Bor-ind,Flosin,Flosint,IPP,Indoprofen,Isindone,K 4277,Praxis,Racemic Indoprofen,Reumofene,dl-α-[4-(1-Oxo-2-isoindolinyl)phenyl]propionic acid,p-(1-Oxo-2-isoindolinyl)hydratropic acid IUPAC Name: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid SMILES: CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O
Loxoprofen, TRC
CAS: 68767-14-6 Molecular Formula: C15 H18 O3 Molecular Weight (g/mol): 246.3 Synonym: Benzeneacetic acid, α-methyl-4-[(2-oxocyclopentyl)methyl]-,α-Methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid,2-[4-[(2-Oxocyclopentan-1-yl)methyl]phenyl]propionic acid,2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propanoic acid,2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic acid,Loxoprofen IUPAC Name: 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid SMILES: CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1
2,6-Dimethylphenylpropionate, TRC
CAS: 51233-80-8 Molecular Formula: C11 H14 O2 Molecular Weight (g/mol): 178.23 Synonym: Phenol, 2,6-dimethyl-, 1-propanoate,Phenol, 2,6-dimethyl-, propanoate (9CI),2,6-Dimethylphenyl propanoate,2,6-Dimethylphenyl propionate,2,6-Xylyl propionate,Propanoic acid 2,6-dimethylphenyl ester IUPAC Name: 3-(2,6-dimethylphenyl)propanoic acid SMILES: Cc1cccc(C)c1CCC(=O)O
(S)-(+)-Ibuprofen, TRC
CAS: 51146-56-6 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (αS)-,Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (S)-,(+)-(S)-Ibuprofen,(+)-(S)-p-Isobutylhydratropic acid,(+)-Ibuprofen,(+)-Ibuprophen,(+)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,(S)-(+)-2-(4-Isobutylphenyl)propionic acid,(S)-(+)-4-Isobutyl-α-methylphenylacetic acid,(S)-(+)-Ibuprofen,(S)-(+)-p-Isobutylhydratropic acid,(S)-2-(4-Isobutylphenyl)propanoic acid,(S)-2-(4-Isobutylphenyl)propionic acid,(S)-2-(p-Isobutylphenyl)propionic acid,(S)-Ibuprofen,(αS)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,Dexibuprofen,Nyfen,S-Optifen,Seractil,Ultraprofen,d-Ibuprofen IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O
(R)-(-)-Ibuprofen, TRC
CAS: 51146-57-7 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (αR)-,Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (R)-,(-)-Ibuprofen,(-)-Ibuprophen,(-)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,(R)-(-)-Ibuprofen,(R)-2-(4-Isobutylphenyl)propanoic acid,(R)-Ibuprofen,(αR)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid,R-(-)-p-Isobutylhydratropic acid,l-Ibuprofen IUPAC Name: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O
Ibuprofen Lysinate, TRC
CAS: 57469-77-9 Molecular Formula: C13 H18 O2 . C6 H14 N2 O2 Molecular Weight (g/mol): 352.468 Synonym: L-Lysine, α-methyl-4-(2-methylpropyl)benzeneacetate (1:1) (ACI),L-Lysine, mono[α-methyl-4-(2-methylpropyl)benzeneacetate] (9CI),Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, compd. with L-lysine (1:1) (9CI),Arfen,Dolormin,Ibuprofen lysinate,Ibuprofen lysine,Ibuprofen lysine salt,Imbun,Imbun 500,Lisiprofen,Lysine 2-(p-isobutylphenyl)propionate,NeoProfen,Saren,Solufenum,Soluphene IUPAC Name: (2S)-2,6-diaminohexanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)C(C)C(=O)O.NCCCC[C@H](N)C(=O)O
rac Ibuprofen, TRC
CAS: 15687-27-1 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: alpha-Methyl-4-(2-methylpropyl)-benzeneacetic acid,p-Isobutylhydratropic acid,(+/-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid,(+/-)-2-(p-Isobutylphenyl)propionic acid,(+/-)-Ibuprofen,(+/-)-Ibuprophen,(4-Isobutylphenyl)-alpha-methyl-acetic acid,(RS)-Ibuprofen,alpha-(4-Isobutylphenyl)propionic acid,alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid,2-(4'-Isobutylphenyl)propionic acid,2-(4-Isobutylphenyl)propanoic acid,2-(p-Isobutylphenyl)propionic acid,4-Isobutyl-α-methylphenylacetic acid,4-Isobutylhydratropic acid,Act 3,Actiprofen,Adex 200,Adran,Advil,Alaxan,Algi-Flanderil,Algiflex,Algofen,Am-Fam 400,Amibufen,Anafen,Anco,Andran,Anflagen,Antarene,Antiflam,Apo-Ibuprofen,Apsifen,Artofen,Artril,Artril 300,Atril 300,Balkaprofen,Betaprofen,Bloom,Bluton,Brofen,Brufanic,Brufen,Brufen 400,Brufen Retard,Bruflam,Brufort,Buburone,Buluofen,Burana,Butacortelone,Butylenin,Carol,Cobo,Codral Period Pain,Combiflam,Dansida,Dentigoa,Dibufen,Dolgin,Dolgirid,Dolgit,Dolmaral,Dolo-Dolgit,Dolocyl,Dolofen,Dolofen F,Dolomax,Donjust B,Doretrim,Dorival,Drin,Easifon,Ebufac,Emflam,Emflam 200,Emodin,Epobron,Femadon,Fenbid,Fenspan,Focus,Gofen,Gynofug,Haltran,IB 100,IP 82,Ibosure,Ibren,Ibu-Attritin,Ibu-Tab,Ibu-slow,Ibufen,Ibuflamar,Ibufug,Ibugen,Ibugesic,Ibuleve,Ibulgan,Ibumetin,Ibupirac,Ibupril,Ibuprocin,Ibuprofen,Ibuprohm,Ibusal,Ibutad,Ifen,Inabrin,Inflam,Inza,Ipren,Iprogel,Irfen,Isodol,Lamidon,Librofem,Lidifen,Liptan,Lopane,Mensoton,Motrin,Motrin IB,Mynosedin,NSC 256857,Nagifen-D,Napacetin,Nobafon,Nobfelon,Nobgen,Noritis,Norton,Novogent,Novoprofen,Nuprin,Nurofen,Optifen,Opturem,Ostarin,Ostofen,Paduden,Panafen,Pantrop,Paxofen,Pediaprofen,Perofen,Proartinal,Profen,Proflex,Prontalgin,Provon,Quadrax,RD 13621,Rafen,Ranofen,Recidol,Relcofen,Roidenin,Rufin,Rupan,Seclodin,Stelar,Suspren,Syntofene,Tabalon,Tabalon 400,Tarein,Tatanal,Tofen,Trendar,U 18753,Unipron,Upfen,Uprofen,Urem,Zafen,Zofen,dl-Ibuprofen,p-Isobutyl-2-phenylpropionic acid,p-Isobutylhydratropic acid IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)C(C)C(=O)O
(S)-(-)-Carbidopa, TRC
CAS: 28860-95-9 Molecular Formula: C10 H14 N2 O4 Molecular Weight (g/mol): 226.23 Synonym: (αS)-α-Hydrazinyl-3,4-dihydroxy-α-methylbenzenepropanoic acid (ACI),Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (S)- (ZCI),Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (αS)- (9CI),Hydrocinnamic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, L- (8CI),(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinamic acid,(-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acid monohydrate,(2S)-2-(Aminoazaniumyl)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate,(2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid,(S)-Carbidopa,1-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid,L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acid,L-Carbidopa,L-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid,L-α-Hydrazino-3,4-dihydroxy-α-methylbenzenepropanoic acid,L-α-Hydrazino-α-methyl-3,4-dihydroxyphenylpropionic acid,L-α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid,L-α-Methyl-α-hydrazino-3,4-dihydroxyphenylpropionic acid,L-α-Methyl-α-hydrazino-β-(3,4-dihydroxyphenyl)propionic acid,L-α-Methyl-β-(3,4-dihydroxyphenyl)-α-hydrazinopropionic acid,L-α-Methyldopahydrazine,Cabidopa,Carbidopa,HMD,Hydrazino-α-methyldopa,Lodosin,Lodosyn,MK 486,N-Aminomethyldopa,α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid,α-Methyldopahydrazine IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid SMILES: C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
Hydroxy Ibuprofen, TRC
CAS: 53949-54-5 Molecular Formula: C13 H18 O3 Molecular Weight (g/mol): 222.28 Synonym: Benzeneacetic acid, 4-(3-hydroxy-2-methylpropyl)-α-methyl-,2-[4-(3-Hydroxy-2-methyl-propyl)phenyl]propanoic acid,4-(3-Hydroxy-2-methylpropyl)-α-methylbenzeneacetic acid,2,4'-(2-Hydroxymethylpropyl)phenylpropionic acid,2-[4-(2-Hydroxymethylpropyl)phenyl]propanoic acid,3-Hydroxyibuprofen IUPAC Name: 2-[4-(3-hydroxy-2-methylpropyl)phenyl]propanoic acid SMILES: CC(CO)Cc1ccc(cc1)C(C)C(=O)O
3-Phenylglutaric Acid, TRC
CAS: 4165-96-2 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 Synonym: beta-Phenylglutaric Acid,3-Phenylpentanedioic Acid IUPAC Name: 3-phenylpentanedioic acid SMILES: OC(=O)CC(CC(=O)O)c1ccccc1
Ciprofibrate Ethyl Ester, TRC
CAS: 52179-28-9 Molecular Formula: C15 H18 Cl2 O3 Molecular Weight (g/mol): 317.21 Synonym: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic Acid Ethyl Ester,Ciprofibrate ethyl ester,Ethyl 2-[p-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionate,Ethyl ciprofibrate,Ethyl 2-[4-[(1RS)-2,2-Dichlorocyclopropyl]phenoxy]-2-methylpropanoate,Ciprofibrate Imp. E (EP) IUPAC Name: ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Oc1ccc(cc1)C2CC2(Cl)Cl
p-Butyl Ibuprofen, TRC
CAS: 3585-49-7 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: (2RS)-2-(4-Butylphenyl)propanoic acid,Ibuprofen Imp. B (EP),Benzeneacetic acid, 4-butyl-α-methyl-,Hydratropic acid, p-butyl- (7CI,8CI),4-Butyl-α-methylbenzeneacetic acid,2-(4-Butylphenyl)propanoic acid,2-(4-n-Butylphenyl)propionic acid,2-(p-Butylphenyl)propionic acid,p-Butylhydratropic acid,p-Butyl Ibuprofen IUPAC Name: 2-(4-butylphenyl)propanoic acid SMILES: CCCCc1ccc(cc1)C(C)C(=O)O
2-Benzylacrylic Acid, TRC
CAS: 5669-19-2 Molecular Formula: C10 H10 O2 Molecular Weight (g/mol): 162.19 Synonym: Hydrocinnamic acid, α-methylene- (6CI,8CI),2-Benzylacrylic acid,2-Methylene-3-phenylpropanoic acid,NSC 192640,α-Benzylacrylic acid,α-Methylenebenzenepropanoic acid,2-Benzylprop-2-enoic acid IUPAC Name: 2-benzylprop-2-enoic acid SMILES: OC(=O)C(=C)Cc1ccccc1
D,L-Carbidopa, TRC
CAS: 302-53-4 Molecular Formula: C10 H14 N2 O4 Molecular Weight (g/mol): 226.23 Synonym: Benzenepropanoic acid, α-hydrazinyl-3,4-dihydroxy-α-methyl-,Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl- (9CI),Hydrocinnamic acid, α-hydrazino-3,4-dihydroxy-α-methyl- (7CI,8CI),α-Hydrazinyl-3,4-dihydroxy-α-methylbenzenepropanoic acid,DL-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropionic acid,DL-Carbidopa,DL-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acid,DL-α-Hydrazino-α-methyl-3,4-dihydroxyphenylpropionic acid,DL-α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid,DL-α-Hydrazino-α-methyldopa,DL-α-MDH,NSC 92521,dl-MK 485,dl-α-Methyl-α-hydrazino-3,4-dihydroxyphenylpropionic acid,α-Hydrazino-α-methyl-3,4-dihydroxyphenylpropionic acid,α-Hydrazino-α-methyldopa,α-MDH,α-Methylhydrazinodopa,β-(3,4-Dihydroxyphenyl)-α-hydrazino-α-methylpropionic acid,β-(3,4-Dihydroxyphenyl)-α-methyl-α-hydrazinopropionic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid SMILES: CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O