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Isoindoles und Derivate

Organische heterozyklische Verbindungen, die aus einem mit einem Pyrrolring fusionierten Benzolring bestehen; diese Verbindungen sind Isomere von Indol. Dazu gehören Verbindungen, die aus Isoindolen gewonnen werden.
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1

Thalidomid, TRC

CAS: 50-35-1 Summenformel: C13 H10 N2 O4 Molekulargewicht (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)Isoindol-1,3-Dion SMILES: O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1

IUPAC-Name 2-(2,6-Dioxopiperidin-3-yl)Isoindol-1,3-Dion
CAS 50-35-1
Molekulargewicht (g/mol) 258.23
SMILES O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
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
Summenformel C13 H10 N2 O4
2

Pigment Grün 7 (Technische Qualität), TRC

CAS: 1328-53-6 Summenformel: C32Cl16CuN8 Molekulargewicht (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

CAS 1328-53-6
Molekulargewicht (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
Summenformel C32Cl16CuN8
3

4-Nitrothalidomid, TRC

Hochreine organische Moleküle und analytische Standards, strategisch weltweit geliefert, um Innovation und wirtschaftlichen Erfolg zu ermöglichen.

4

Des-acetyl Apremilast, TRC

CAS: 635705-72-5 Summenformel: C20H22N2O6S Molekulargewicht (g/mol): 418.46 Synonym: 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

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

Tecloftalam Imide, TRC

CAS: 26491-30-5 Summenformel: C14 H3 Cl6 N O2 Molekulargewicht (g/mol): 429.9 Synonym: 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)Isoindol-1,3-Dion 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)Isoindol-1,3-Dion
CAS 26491-30-5
Molekulargewicht (g/mol) 429.9
SMILES Clc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1Cl
Synonym 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
Summenformel C14 H3 Cl6 N O2
6

Folpet, TRC

CAS: 133-07-3 Summenformel: C9 H4 Cl3 N O2 S Molekulargewicht (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-(Trichlormethylsulfanyl)isoindol-1,3-dion SMILES: ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O

IUPAC-Name 2-(Trichlormethylsulfanyl)isoindol-1,3-dion
CAS 133-07-3
Molekulargewicht (g/mol) 296.56
SMILES ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O
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
Summenformel C9 H4 Cl3 N O2 S
7

Dialifos, TRC

CAS: 10311-84-9 Summenformel: C14 H17 Cl N O4 P S2 Molekulargewicht (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-Chlor-1-Diethoxyphosphinotioylsulfanylethyl)Isoindol-1,3-Dion SMILES: CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O

IUPAC-Name 2-(2-Chlor-1-Diethoxyphosphinotioylsulfanylethyl)Isoindol-1,3-Dion
CAS 10311-84-9
Molekulargewicht (g/mol) 393.85
SMILES CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O
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
Summenformel C14 H17 Cl N O4 P S2
8

2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-yl)Ethanesulfonat Kalium, TRC

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

CAS 91893-72-0
Molekulargewicht (g/mol) 293.34
SMILES [K+].[O-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O
Summenformel C10H8KNO5S
9

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

CAS: 7764-29-6 Summenformel: C16 H8 N2 O4 S Molekulargewicht (g/mol): 324.31 Synonym: 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)Sulfanylisoindol-1,3-Dion SMILES: O=C1N(SN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14

IUPAC-Name 2-(1,3-Dioxoisoindol-2-yl)Sulfanylisoindol-1,3-Dion
CAS 7764-29-6
Molekulargewicht (g/mol) 324.31
SMILES O=C1N(SN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14
Synonym 2,2'-thiobis(isoindoline-1,3-dione),N,N'-thiodi Phthalimide,2,2'-Thiobis[1H-isoindole-1,3(2H)-dione],N,N'-Thiobisphthalimide
Summenformel C16 H8 N2 O4 S
10

3-Phthalimidopropanoylchlorid (Technische Qualität), TRC

CAS: 17137-11-0 Summenformel: C11H8ClNO3 Molekulargewicht (g/mol): 237.64 Synonym: 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)propanoylchlorid SMILES: ClC(=O)CCN1C(=O)c2ccccc2C1=O

IUPAC-Name 3-(1,3-Dioxoisoindol-2-yl)propanoylchlorid
CAS 17137-11-0
Molekulargewicht (g/mol) 237.64
SMILES ClC(=O)CCN1C(=O)c2ccccc2C1=O
Synonym 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
Summenformel C11H8ClNO3
11

Chlorthalidon, TRC

CAS: 77-36-1 Summenformel: C14 H11 Cl N2 O4 S Molekulargewicht (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-chlor-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzolsulfonamid SMILES: NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23

IUPAC-Name 2-chlor-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzolsulfonamid
CAS 77-36-1
Molekulargewicht (g/mol) 338.77
SMILES NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23
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
Summenformel C14 H11 Cl N2 O4 S
12

4-Nitrothalidomid, TRC

CAS: 19171-18-7 Summenformel: C13H9N3O6 Molekulargewicht (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-Nitroisoindol-1,3-Dion SMILES: [O-][N+](=O)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

IUPAC-Name 2-(2,6-Dioxopiperidin-3-yl)-4-Nitroisoindol-1,3-Dion
CAS 19171-18-7
Molekulargewicht (g/mol) 303.23
SMILES [O-][N+](=O)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
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;
Summenformel C13H9N3O6
13

Chlorchlorthalidon, TRC

CAS: 16289-13-7 Summenformel: C14 H9 Cl2 N O2 Molekulargewicht (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-eins SMILES: OC1(NC(=O)c2ccccc12)c3ccc(Cl)c(Cl)c3

IUPAC-Name 3-(3,4-Dichlorophenyl)-3-Hydroxy-2H-isoindol-1-eins
CAS 16289-13-7
Molekulargewicht (g/mol) 294.13
SMILES OC1(NC(=O)c2ccccc12)c3ccc(Cl)c(Cl)c3
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
Summenformel C14 H9 Cl2 N O2
14

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

CAS: 956-92-3 Summenformel: C14 H10 Cl N O2 Molekulargewicht (g/mol): 259.69 Synonym: 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-eins SMILES: OC1(NC(=O)c2ccccc12)c3ccc(Cl)cc3

IUPAC-Name 3-(4-Chlorophenyl)-3-Hydroxy-Isoindolin-1-eins
CAS 956-92-3
Molekulargewicht (g/mol) 259.69
SMILES OC1(NC(=O)c2ccccc12)c3ccc(Cl)cc3
Synonym 3-(4-Chlorophenyl)-2,3-dihydro-3-hydroxy-1H-isoindol-1-one,C 3/76,Chlorthalidone Impurity J
Summenformel C14 H10 Cl N O2
15

3-Dehydroxychlorthalidon, TRC

CAS: 82875-49-8 Summenformel: C14 H11 Cl N2 O3 S Molekulargewicht (g/mol): 322.77 Synonym: 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)Benzolsulfonamid SMILES: NS(=O)(=O)c1cc(ccc1Cl)C2NC(=O)c3ccccc23

IUPAC-Name 2-Chloro-5-(3-Oxo-1,2-Dihydroisoindol-1-yl)Benzolsulfonamid
CAS 82875-49-8
Molekulargewicht (g/mol) 322.77
SMILES NS(=O)(=O)c1cc(ccc1Cl)C2NC(=O)c3ccccc23
Synonym 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)
Summenformel C14 H11 Cl N2 O3 S