Isoindoles and derivatives
Chlorthalidone, TRC
CAS: 77-36-1 Molecular Formula: C14 H11 Cl N2 O4 S Molecular Weight (g/mol): 338.77 Synonym: Benzenesulfonamide, 2-chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)-,Benzenesulfonamide, 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)- (6CI,8CI),2-Chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)benzenesulfonamide,(±)-Chlorthalidone,(±)-Hygroton,1-Oxo-3-(3-sulfamyl-4-chlorophenyl)-3-hydroxy-isoindolinum,1-Oxo-3-(3-sulfamyl-4-chlorophenyl)-3-hydroxyisoindoline,1-keto-3-(3'-Sulfamyl-4'-chlorophenyl)-3-hydroxyisoindoline,2-Chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide,2-Chloro-5-(3-hydroxy-1-oxoisoindol-3-yl)benzenesulfonamide,3-(4'-Chloro-3'-sulfamoylphenyl)-3-hydroxyphthalimidine,3-Hydroxy-3-[4-chloro-3-sulfamylphenyl]phthalimidine,Chlorothalidone,Chlortalidone,Chlorthalidon,Chlorthalidone,Demi-Regroton,G 33182,Higroton,Higrotona,Hygroton,Igroton,Isoren,NSC 69200,Natriuran,Oradil,Oxodolin,Phthalamudine,Racemic chlorthalidone,Renon,Saluretin,Thalitone,ZINC 00020253,Zambesil IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide SMILES: NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23
Dialifos, TRC
CAS: 10311-84-9 Molecular Formula: C14 H17 Cl N O4 P S2 Molecular Weight (g/mol): 393.85 Synonym: Phosphorodithioic acid, O,O-diethyl ester, S-ester with N-(2-chloro-1-mercaptoethyl)phthalimide (7CI,8CI),Phthalimide, N-(2-chloro-1-mercaptoethyl)-, S-ester with O,O-diethyl phosphorodithioate (8CI),Dialifor,Dialifos,Dialiphor,Dialiphos,Hercules 14503,O,O-Diethyl S-(2-chloro-1-phthalimidoethyl) phosphorodithioate,S-(2-Chloro-1-phthalimidoethyl) O,O-diethyl phosphorodithioate,Torak IUPAC Name: 2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione SMILES: CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O
Trehalulose, TRC
CAS: 51411-23-5 Molecular Formula: C12H22O11 Molecular Weight (g/mol): 342.3 Synonym: 1-O-alpha-D-Glucopyranosyl-D-fructose,1-O-alpha-D-Glucosylfructose,Mildear;Mildear 75,Trehalulose,Vitalose IUPAC Name: (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Falipamil, TRC
CAS: 77862-92-1 Molecular Formula: C24H32N2O5 Molecular Weight (g/mol): 428.52 Synonym: 2-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindol-1-one,AQ-A 39; SMILES: COc1ccc(CCN(C)CCCN2Cc3cc(OC)c(OC)cc3C2=O)cc1OC
Folpet, TRC
CAS: 133-07-3 Molecular Formula: C9 H4 Cl3 N O2 S Molecular Weight (g/mol): 296.56 Synonym: 2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione,Acryptane,Cosan T,Dipet,Faltan,Folnit,Folpan,Folpel,Ftalan,Fungitrol 11,Intercide TMP,N-[(Trichloromethyl)thio]phthalimide,Orthofaltan 50,Orthophaltan,Phaltan,Phaltane,Phthaltan,Ryl,Sanfol,Spolacid,Trifol,Vinicoli IUPAC Name: 2-(trichloromethylsulfanyl)isoindole-1,3-dione SMILES: ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O
Thalidomide, TRC
CAS: 50-35-1 Molecular Formula: C13 H10 N2 O4 Molecular Weight (g/mol): 258.23 Synonym: Thalidomide,2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione,(±)-Thalidomide,1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline,3-Phthalimidoglutarimide,Celgene,Contergan,Distaval,K 17,Kevadon,Myrin,N-(2,6-Dioxo-3-piperidyl)phthalimide,N-Phthaloylglutamimide,NSC 527179,NSC 66847,Neurosedyn,Pantosediv,Pharmion,Quetimid,Sauramide,Sedalis,Sedoval,Softenil,Softenon,Suaramide,Synovir,Talimol,Talinol,Thaled,Thalomid,α-(N-Phthalimido)glutarimide,α-N-Phthalylglutaramide,α-Phthalimidoglutarimide IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SMILES: O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
Apremilast, TRC
CAS: 608141-41-9 Molecular Formula: C22 H24 N2 O7 S Molecular Weight (g/mol): 460.5 Synonym: Acetamide, N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-,N-[2-[(1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]acetamide,(S)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-acetylaminoisoindoline-1,3-dione,(S)-N-[2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl]ethyl]-1,3-dioxoisoindolin-4-yl)acetamide,Apremilast,CC 10004,Otezla IUPAC Name: N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide SMILES: CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(NC(=O)C)c3C2=O
Lenalidomide, TRC
CAS: 191732-72-6 Molecular Formula: C13 H13 N3 O3 Molecular Weight (g/mol): 259.26 Synonym: 3-(4-Amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione,1-Oxo-4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole,3-(4-Amino-1-oxoisoindolin-2-yl)piperidin-2,6-dione,3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione,CC 5013,CDC 501,ENMD 0997,Lenalidomide,Revimid,Revlimid IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione SMILES: Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O
Phosmet, TRC
CAS: 732-11-6 Molecular Formula: C11 H12 N O4 P S2 Molecular Weight (g/mol): 317.32 Synonym: Phosphorodithioic acid, O,O-dimethyl S-phthalimidomethyl ester (6CI),Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide (8CI),Decemthion,Decemthion EK 20,Decemthion P-6,Decemtion,Fosmet,Ftalophos,GWN 1976,Imidan,Imidan 70WP,Imidathion,N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate),O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate,O,O-Dimethyl S-phthalimidomethyl phosphorodithioate,O,O-Dimethyl S-phthalimidomethyl phosphorodithioate,Orbisect,Ordatox,PMP,PMP (pesticide),Phosmet,Phthalophos,Porect,Prolate,R 1504,S-Phthalimidomethyl O,O-dimethyl phosphorodithioate,Safidon,Simidan,Starbar GX 118,Stauffer R 1504,Phosphorodithioic acid, S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] O,O-dimethyl ester IUPAC Name: 2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione SMILES: COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
Tetramethrin, TRC
CAS: 7696-12-0 Molecular Formula: C19 H25 N O4 Molecular Weight (g/mol): 331.41 Synonym: Tetramethrin,Phthalthrin,Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester (ACI),Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester (9CI),Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with N-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide (7CI, 8CI),(1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate,(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate,(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate,Bioneo-Pynamin,d-Tetramethrin,Insectol,Neo-Pynamin,Neo-Pynamin Forte,Phthalthrin,Pibutox,Pion 1,Pyrethrol L,Tetramethrin IUPAC Name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate SMILES: CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C
Ethylenebistetrabromophthalimide, TRC
CAS: 32588-76-4 Molecular Formula: C18 H4 Br8 N2 O4 Molecular Weight (g/mol): 951.47 Synonym: Phthalimide, N,N'-ethylenebis[tetrabromo- (8CI),2,2'-(1,2-Ethanediyl)bis[4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione],1,2-Bis(tetrabromophthalimido)ethane,BT 93,BT 93W,BT 93WFG,Chemguard 952,Citex BT 93,EcoFlame B 951,N,N'-Ethylenebis(tetrabromophthalimide),Saytex BT 93,Saytex BT 93W,Saytex BT 93W1 IUPAC Name: 4,5,6,7-tetrabromo-2-[2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione SMILES: Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br
Pomalidomide, TRC
CAS: 19171-19-8 Molecular Formula: C13 H11 N3 O4 Molecular Weight (g/mol): 273.24 Synonym: 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-,Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)- (8CI),4-Amino-2-(2,6-dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione,2-(2,6-Dioxopiperidin-3-yl)-4-amino-isoindole-1,3-dione,4-Amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione,4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione,4-Amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione,4-Amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione,Actimid,CC 4047,Pomalidomide,Pomalyst IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SMILES: Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
4-Nitrothalidomide, TRC
CAS: 19171-18-7 Molecular Formula: C13H9N3O6 Molecular Weight (g/mol): 303.23 Synonym: 2-(2,6-Dioxo-3-piperidinyl)-4-nitro-1H-isoindole-1,3(2H)-dione,2-(2,6-Dioxopiperidin-3-yl)-4-nitro-isoindole-1,3-dione,4-Nitro-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione; IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione SMILES: [O-][N+](=O)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Chloro Chlorthalidone, TRC
CAS: 16289-13-7 Molecular Formula: C14 H9 Cl2 N O2 Molecular Weight (g/mol): 294.13 Synonym: 1H-Isoindol-1-one, 3-(3,4-dichlorophenyl)-2,3-dihydro-3-hydroxy-,Phthalimidine, 3-(3,4-dichlorophenyl)-3-hydroxy- (7CI,8CI),(3RS)-3-(3,4-Dichlorophenyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-one,3-(3,4-Dichlorophenyl)-3-hydroxy-isoindolin-1-one IUPAC Name: 3-(3,4-dichlorophenyl)-3-hydroxy-2H-isoindol-1-one SMILES: OC1(NC(=O)c2ccccc12)c3ccc(Cl)c(Cl)c3
1,2,3,6-Tetrahydrophthalimide, TRC
CAS: 85-40-5 Molecular Formula: C8 H9 N O2 Molecular Weight (g/mol): 151.16 Synonym: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-,4-Cyclohexene-1,2-dicarboximide (6CI,7CI,8CI),3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione,1,2,3,6-Tetrahydrophthalimide,2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione,3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one,3a,4,7,7a-Tetrahydroisoindole-1,3-dione,NSC 59011,THPI,Tetrahydrophthalic acid imide,Tetrahydrophthalimide,δ4-Tetrahydrophthalimide,1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-,4-Cyclohexene-1,2-dicarboximide (6CI,7CI,8CI),3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione,1,2,3,6-Tetrahydrophthalimide,2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione,3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one,3a,4,7,7a-Tetrahydroisoindole-1,3-dione,NSC 59011,THPI,Tetrahydrophthalic acid imide,Tetrahydrophthalimide,δ4-Tetrahydrophthalimide IUPAC Name: 3a,4,7,7a-tetrahydroisoindole-1,3-dione SMILES: O=C1NC(=O)C2CC=CCC12