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Isoindoles and derivatives

Organic heterocyclic compounds that consist of a benzene ring fused with a pyrrole ring; these compounds are isomers of indole. Includes compounds that are derived from isoindoles.
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1

Des-acetyl Apremilast, TRC

CAS: 635705-72-5 Formula molecolare: C20H22N2O6S Molecular Weight (g/mol): 418.46 Sinonimo: 4-Amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione SMILES: CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(N)c3C2=O

Sinonimo 4-Amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione
Formula molecolare C20H22N2O6S
CAS 635705-72-5
Molecular Weight (g/mol) 418.46
SMILES CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(N)c3C2=O
2

Tecloftalam Imide, TRC

CAS: 26491-30-5 Formula molecolare: C14 H3 Cl6 N O2 Molecular Weight (g/mol): 429.9 Sinonimo: 4,5,6,7-Tetrachloro-2-(2,3-dichlorophenyl)-1H-isoindole-1,3(2H)-dione (ACI),Phthalimide, 3,4,5,6-tetrachloro-N-(2,3-dichlorophenyl)- (8CI),Tecloftalam-imide IUPAC Name: 4,5,6,7-tetrachloro-2-(2,3-dichlorophenyl)isoindole-1,3-dione SMILES: Clc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1Cl

Sinonimo 4,5,6,7-Tetrachloro-2-(2,3-dichlorophenyl)-1H-isoindole-1,3(2H)-dione (ACI),Phthalimide, 3,4,5,6-tetrachloro-N-(2,3-dichlorophenyl)- (8CI),Tecloftalam-imide
Formula molecolare C14 H3 Cl6 N O2
CAS 26491-30-5
Molecular Weight (g/mol) 429.9
SMILES Clc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1Cl
IUPAC Name 4,5,6,7-tetrachloro-2-(2,3-dichlorophenyl)isoindole-1,3-dione
3

4-Nitrothalidomide, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

4

Folpet, TRC

CAS: 133-07-3 Formula molecolare: C9 H4 Cl3 N O2 S Molecular Weight (g/mol): 296.56 Sinonimo: 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

Sinonimo 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
Formula molecolare C9 H4 Cl3 N O2 S
CAS 133-07-3
Molecular Weight (g/mol) 296.56
SMILES ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O
IUPAC Name 2-(trichloromethylsulfanyl)isoindole-1,3-dione
5

Dialifos, TRC

CAS: 10311-84-9 Formula molecolare: C14 H17 Cl N O4 P S2 Molecular Weight (g/mol): 393.85 Sinonimo: 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

Sinonimo 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
Formula molecolare C14 H17 Cl N O4 P S2
CAS 10311-84-9
Molecular Weight (g/mol) 393.85
SMILES CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O
IUPAC Name 2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione
6

3-Phthalimidopropanoyl Chloride (Technical Grade), TRC

CAS: 17137-11-0 Formula molecolare: C11H8ClNO3 Molecular Weight (g/mol): 237.64 Sinonimo: 3-Phthalimidopropionyl Chloride,3-Phthalimidoylpropionyl Chloride,Phthaloyl-beta-alanyl Chloride,beta-Phthalimidopropionic Acid Chloride,3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionyl Chloride,3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl Chloride IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propanoyl chloride SMILES: ClC(=O)CCN1C(=O)c2ccccc2C1=O

Sinonimo 3-Phthalimidopropionyl Chloride,3-Phthalimidoylpropionyl Chloride,Phthaloyl-beta-alanyl Chloride,beta-Phthalimidopropionic Acid Chloride,3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionyl Chloride,3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl Chloride
Formula molecolare C11H8ClNO3
CAS 17137-11-0
Molecular Weight (g/mol) 237.64
SMILES ClC(=O)CCN1C(=O)c2ccccc2C1=O
IUPAC Name 3-(1,3-dioxoisoindol-2-yl)propanoyl chloride
7

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanesulfonate Potassium, TRC

CAS: 91893-72-0 Formula molecolare: C10H8KNO5S Molecular Weight (g/mol): 293.34 SMILES: [K+].[O-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O

Formula molecolare C10H8KNO5S
CAS 91893-72-0
Molecular Weight (g/mol) 293.34
SMILES [K+].[O-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O
8

N,N'-Thiodiphthalimide (>90%), TRC

CAS: 7764-29-6 Formula molecolare: C16 H8 N2 O4 S Molecular Weight (g/mol): 324.31 Sinonimo: 2,2'-thiobis(isoindoline-1,3-dione),N,N'-thiodi Phthalimide,2,2'-Thiobis[1H-isoindole-1,3(2H)-dione],N,N'-Thiobisphthalimide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)sulfanylisoindole-1,3-dione SMILES: O=C1N(SN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14

Sinonimo 2,2'-thiobis(isoindoline-1,3-dione),N,N'-thiodi Phthalimide,2,2'-Thiobis[1H-isoindole-1,3(2H)-dione],N,N'-Thiobisphthalimide
Formula molecolare C16 H8 N2 O4 S
CAS 7764-29-6
Molecular Weight (g/mol) 324.31
SMILES O=C1N(SN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14
IUPAC Name 2-(1,3-dioxoisoindol-2-yl)sulfanylisoindole-1,3-dione
9

Pigment Green 7 (Technical Grade), TRC

CAS: 1328-53-6 Formula molecolare: C32Cl16CuN8 Molecular Weight (g/mol): 1127.19 SMILES: ClC1=C(Cl)C(Cl)=C(Cl)C2=C3/N=C\4C5=C(Cl)C(Cl)=C(Cl)C(Cl)=C5C(=N4)N=C6C7=C(Cl)C(Cl)=C(Cl)C(Cl)=C7C8=NC(=N9)C%10=C(Cl)C(Cl)=C(Cl)C(Cl)=C%10C9=NC(=C12)N3[Cu]N68

Formula molecolare C32Cl16CuN8
CAS 1328-53-6
Molecular Weight (g/mol) 1127.19
SMILES ClC1=C(Cl)C(Cl)=C(Cl)C2=C3/N=C\4C5=C(Cl)C(Cl)=C(Cl)C(Cl)=C5C(=N4)N=C6C7=C(Cl)C(Cl)=C(Cl)C(Cl)=C7C8=NC(=N9)C%10=C(Cl)C(Cl)=C(Cl)C(Cl)=C%10C9=NC(=C12)N3[Cu]N68
10

Falipamil, TRC

CAS: 77862-92-1 Formula molecolare: C24H32N2O5 Molecular Weight (g/mol): 428.52 Sinonimo: 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

Sinonimo 2-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindol-1-one,AQ-A 39;
Formula molecolare C24H32N2O5
CAS 77862-92-1
Molecular Weight (g/mol) 428.52
SMILES COc1ccc(CCN(C)CCCN2Cc3cc(OC)c(OC)cc3C2=O)cc1OC
11

Chloro Chlorthalidone, TRC

CAS: 16289-13-7 Formula molecolare: C14 H9 Cl2 N O2 Molecular Weight (g/mol): 294.13 Sinonimo: 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

Sinonimo 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
Formula molecolare C14 H9 Cl2 N O2
CAS 16289-13-7
Molecular Weight (g/mol) 294.13
SMILES OC1(NC(=O)c2ccccc12)c3ccc(Cl)c(Cl)c3
IUPAC Name 3-(3,4-dichlorophenyl)-3-hydroxy-2H-isoindol-1-one
12

4-Nitrothalidomide, TRC

CAS: 19171-18-7 Formula molecolare: C13H9N3O6 Molecular Weight (g/mol): 303.23 Sinonimo: 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

Sinonimo 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;
Formula molecolare C13H9N3O6
CAS 19171-18-7
Molecular Weight (g/mol) 303.23
SMILES [O-][N+](=O)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
IUPAC Name 2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione
13

3-Dehydroxy Chlorthalidone, TRC

CAS: 82875-49-8 Formula molecolare: C14 H11 Cl N2 O3 S Molecular Weight (g/mol): 322.77 Sinonimo: Benzenesulfonamide, 2-chloro-5-(2,3-dihydro-3-oxo-1H-isoindol-1-yl)-,2-Chloro-5-(2,3-dihydro-3-oxo-1H-isoindol-1-yl)benzenesulfonamide,2-Chloro-5-[(1RS)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide,3-Dehydroxy Chlorthalidone,Chlortalidone Imp. E (EP) IUPAC Name: 2-chloro-5-(3-oxo-1,2-dihydroisoindol-1-yl)benzenesulfonamide SMILES: NS(=O)(=O)c1cc(ccc1Cl)C2NC(=O)c3ccccc23

Sinonimo Benzenesulfonamide, 2-chloro-5-(2,3-dihydro-3-oxo-1H-isoindol-1-yl)-,2-Chloro-5-(2,3-dihydro-3-oxo-1H-isoindol-1-yl)benzenesulfonamide,2-Chloro-5-[(1RS)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide,3-Dehydroxy Chlorthalidone,Chlortalidone Imp. E (EP)
Formula molecolare C14 H11 Cl N2 O3 S
CAS 82875-49-8
Molecular Weight (g/mol) 322.77
SMILES NS(=O)(=O)c1cc(ccc1Cl)C2NC(=O)c3ccccc23
IUPAC Name 2-chloro-5-(3-oxo-1,2-dihydroisoindol-1-yl)benzenesulfonamide
14

3-(p-Chlorophenyl)-3-hydroxyphthalimidine, TRC

CAS: 956-92-3 Formula molecolare: C14 H10 Cl N O2 Molecular Weight (g/mol): 259.69 Sinonimo: 3-(4-Chlorophenyl)-2,3-dihydro-3-hydroxy-1H-isoindol-1-one,C 3/76,Chlorthalidone Impurity J IUPAC Name: 3-(4-chlorophenyl)-3-hydroxy-isoindolin-1-one SMILES: OC1(NC(=O)c2ccccc12)c3ccc(Cl)cc3

Sinonimo 3-(4-Chlorophenyl)-2,3-dihydro-3-hydroxy-1H-isoindol-1-one,C 3/76,Chlorthalidone Impurity J
Formula molecolare C14 H10 Cl N O2
CAS 956-92-3
Molecular Weight (g/mol) 259.69
SMILES OC1(NC(=O)c2ccccc12)c3ccc(Cl)cc3
IUPAC Name 3-(4-chlorophenyl)-3-hydroxy-isoindolin-1-one
15

1,2,3,6-Tetrahydrophthalimide, TRC

CAS: 85-40-5 Formula molecolare: C8 H9 N O2 Molecular Weight (g/mol): 151.16 Sinonimo: 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

Sinonimo 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
Formula molecolare C8 H9 N O2
CAS 85-40-5
Molecular Weight (g/mol) 151.16
SMILES O=C1NC(=O)C2CC=CCC12
IUPAC Name 3a,4,7,7a-tetrahydroisoindole-1,3-dione