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Cycloheptathiophene

Organische bizyklische Verbindungen, die aus einem siebengliedrigen Ring bestehen, der mit einem Thiophenring fusioniert ist; Thiophene sind ein fünfgliedriger Ring mit vier Kohlenstoffatomen und einem Schwefelatom.
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1

Ethyl-2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-carboxylat, 96 %, Thermo Scientific Chemicals

CAS: 40106-13-6 Summenformel: C12H17NO2S Molekulargewicht (g/mol): 239.333 MDL-Nummer: MFCD00216932 InChI-Schlüssel: XTUHIGALMIGZST-UHFFFAOYSA-N Synonym: ethyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylate,ethyl 2-amino-4h,5h,6h,7h,8h-cyclohepta b thiophene-3-carboxylate,ethyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-b thiophene-3-carboxylate,ethyl 2-amino-4,5,6,7,8-pentahydrocyclohepta 1,2-b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylic acid ethyl ester,ethyl 2-aminocyclohepta b thiophene-3-carboxylate,aronis24232,ethyl 2-aminocycloheptathiophene-3-carboxylate,2-amino-3-ethoxy-carbonyl-4,5-pentamethylenethiophene PubChem CID: 292644 IUPAC-Name: Ethyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophen-3-Carboxylat SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)N

InChI-Schlüssel XTUHIGALMIGZST-UHFFFAOYSA-N
IUPAC-Name Ethyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophen-3-Carboxylat
PubChem CID 292644
CAS 40106-13-6
MDL-Nummer MFCD00216932
Molekulargewicht (g/mol) 239.333
SMILES CCOC(=O)C1=C(SC2=C1CCCCC2)N
Synonym ethyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylate,ethyl 2-amino-4h,5h,6h,7h,8h-cyclohepta b thiophene-3-carboxylate,ethyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-b thiophene-3-carboxylate,ethyl 2-amino-4,5,6,7,8-pentahydrocyclohepta 1,2-b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylic acid ethyl ester,ethyl 2-aminocyclohepta b thiophene-3-carboxylate,aronis24232,ethyl 2-aminocycloheptathiophene-3-carboxylate,2-amino-3-ethoxy-carbonyl-4,5-pentamethylenethiophene
Summenformel C12H17NO2S
2

Pizotifen N-Oxide, TRC

CAS: 28588-48-9 Summenformel: C19 H21 N O S Molekulargewicht (g/mol): 311.44 Synonym: 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-piperidine 1-Oxide; IUPAC-Name: 4-(4,5-dihydrobenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)-1-methyl-1$l^{5}-azinane 1-oxide SMILES: CN1(=O)CCC(=C2c3ccccc3CCc4sccc24)CC1

IUPAC-Name 4-(4,5-dihydrobenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)-1-methyl-1$l^{5}-azinane 1-oxide
CAS 28588-48-9
Molekulargewicht (g/mol) 311.44
SMILES CN1(=O)CCC(=C2c3ccccc3CCc4sccc24)CC1
Synonym 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-piperidine 1-Oxide;
Summenformel C19 H21 N O S
3

Pizotyline, TRC

CAS: 15574-96-6 Summenformel: C19 H21 N S Molekulargewicht (g/mol): 295.44 Synonym: Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-,4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine,4H-Benzo[4,5]cyclohepta[1,2-b]thiophene, piperidine deriv.,4-(1-Methyl-4-piperidylidene)-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene,BC 105,Litec,Pizotifen,Pizotyline,Polomigran,Sandomigran IUPAC-Name: 4-(4,5-dihydrobenzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene)-1-methylpiperidine SMILES: CN1CCC(=C2c3ccccc3CCc4sccc24)CC1

IUPAC-Name 4-(4,5-dihydrobenzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene)-1-methylpiperidine
CAS 15574-96-6
Molekulargewicht (g/mol) 295.44
SMILES CN1CCC(=C2c3ccccc3CCc4sccc24)CC1
Synonym Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-,4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine,4H-Benzo[4,5]cyclohepta[1,2-b]thiophene, piperidine deriv.,4-(1-Methyl-4-piperidylidene)-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene,BC 105,Litec,Pizotifen,Pizotyline,Polomigran,Sandomigran
Summenformel C19 H21 N S
4

9,10-Dioxo Ketotifen, TRC

CAS: 43076-16-0 Summenformel: C19 H17 N O2 S Molekulargewicht (g/mol): 323.41 Synonym: 4H-Benzo[4,5]cyclohepta[1,2-b]thiophene-9,10-dione, 4-(1-methyl-4-piperidinylidene)-,4-(1-Methyl-4-piperidinylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-9,10-dione,NSC 282482,4-(1-Methylpiperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-9,10-dione,9,10-Dioxo Ketotifen,9,10-Dioxoketotifen IUPAC-Name: 10-(1-methylpiperidin-4-ylidene)benzo[1,2]cyclohepta[2,4-b]thiophene-4,5-dione SMILES: CN1CCC(=C2c3ccccc3C(=O)C(=O)c4sccc24)CC1

IUPAC-Name 10-(1-methylpiperidin-4-ylidene)benzo[1,2]cyclohepta[2,4-b]thiophene-4,5-dione
CAS 43076-16-0
Molekulargewicht (g/mol) 323.41
SMILES CN1CCC(=C2c3ccccc3C(=O)C(=O)c4sccc24)CC1
Synonym 4H-Benzo[4,5]cyclohepta[1,2-b]thiophene-9,10-dione, 4-(1-methyl-4-piperidinylidene)-,4-(1-Methyl-4-piperidinylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-9,10-dione,NSC 282482,4-(1-Methylpiperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-9,10-dione,9,10-Dioxo Ketotifen,9,10-Dioxoketotifen
Summenformel C19 H17 N O2 S
5

Ketotifen Fumarate, TRC

CAS: 34580-14-8 Summenformel: C19 H19 N O S . C4 H4 O4 Molekulargewicht (g/mol): 425.5 Synonym: Ketotifen Hydrogen Fumarate,10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2E)-2-butenedioate (1:1),10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (E)-2-butenedioate (1:1),Allerkif,HC 20511,HC 20511 fumarate,Ketotifen fumarate,Ketotifen hydrogen fumarate,Totifen,Zaditen,Zaditor,Zasten IUPAC-Name: (E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one SMILES: CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1.OC(=O)\C=C\C(=O)O

IUPAC-Name (E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one
CAS 34580-14-8
Molekulargewicht (g/mol) 425.5
SMILES CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1.OC(=O)\C=C\C(=O)O
Synonym Ketotifen Hydrogen Fumarate,10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2E)-2-butenedioate (1:1),10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (E)-2-butenedioate (1:1),Allerkif,HC 20511,HC 20511 fumarate,Ketotifen fumarate,Ketotifen hydrogen fumarate,Totifen,Zaditen,Zaditor,Zasten
Summenformel C19 H19 N O S . C4 H4 O4
7

10-Deoxo-9,10-dehydro Ketotifen, TRC

CAS: 4673-38-5 Summenformel: C19 H19 N S Molekulargewicht (g/mol): 293.43 Synonym: Piperidine, 4-(4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-,4-(4H-Benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine,4H-Benzo[4,5]cyclohepta[1,2-b]thiophene, piperidine deriv.,4-(4H-Benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine,Ketotifen Hydrogen Fumarate Imp. A (EP) IUPAC-Name: 4-benzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene-1-methylpiperidine SMILES: CN1CCC(=C2c3ccccc3C=Cc4sccc24)CC1

IUPAC-Name 4-benzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene-1-methylpiperidine
CAS 4673-38-5
Molekulargewicht (g/mol) 293.43
SMILES CN1CCC(=C2c3ccccc3C=Cc4sccc24)CC1
Synonym Piperidine, 4-(4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-,4-(4H-Benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine,4H-Benzo[4,5]cyclohepta[1,2-b]thiophene, piperidine deriv.,4-(4H-Benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine,Ketotifen Hydrogen Fumarate Imp. A (EP)
Summenformel C19 H19 N S
8

Methyl-2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-carboxylat, 95 %, ACROS Organics™

CAS: 184174-81-0 Summenformel: C11H15NO2S Molekulargewicht (g/mol): 225.31 InChI-Schlüssel: BDPLKEMLVDUYRR-UHFFFAOYSA-N Synonym: methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylate,methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-b thiophene-3-carboxylate,methyl 2-amino-4h,5h,6h,7h,8h-cyclohepta b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,5,6,7,8-tetrahydro-2-amino-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,methyl 2-amino-4,5,6,7,8-pentahydrocyclohepta 1,2-b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b-thiophene-3-carboxylic acid methyl ester PubChem CID: 2756554 IUPAC-Name: Methyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophen-3-Carboxylat SMILES: COC(=O)C1=C(SC2=C1CCCCC2)N

InChI-Schlüssel BDPLKEMLVDUYRR-UHFFFAOYSA-N
IUPAC-Name Methyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophen-3-Carboxylat
PubChem CID 2756554
CAS 184174-81-0
Molekulargewicht (g/mol) 225.31
SMILES COC(=O)C1=C(SC2=C1CCCCC2)N
Synonym methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylate,methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-b thiophene-3-carboxylate,methyl 2-amino-4h,5h,6h,7h,8h-cyclohepta b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,5,6,7,8-tetrahydro-2-amino-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,methyl 2-amino-4,5,6,7,8-pentahydrocyclohepta 1,2-b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b-thiophene-3-carboxylic acid methyl ester
Summenformel C11H15NO2S
9

Methyl-2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-carboxylat, 96 %, Thermo Scientific™

CAS: 184174-81-0 Summenformel: C11H15NO2S Molekulargewicht (g/mol): 225.306 MDL-Nummer: MFCD01114967 InChI-Schlüssel: BDPLKEMLVDUYRR-UHFFFAOYSA-N Synonym: methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylate,methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-b thiophene-3-carboxylate,methyl 2-amino-4h,5h,6h,7h,8h-cyclohepta b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,5,6,7,8-tetrahydro-2-amino-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,methyl 2-amino-4,5,6,7,8-pentahydrocyclohepta 1,2-b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b-thiophene-3-carboxylic acid methyl ester PubChem CID: 2756554 IUPAC-Name: Methyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophen-3-Carboxylat SMILES: COC(=O)C1=C(SC2=C1CCCCC2)N

InChI-Schlüssel BDPLKEMLVDUYRR-UHFFFAOYSA-N
IUPAC-Name Methyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophen-3-Carboxylat
PubChem CID 2756554
CAS 184174-81-0
MDL-Nummer MFCD01114967
Molekulargewicht (g/mol) 225.306
SMILES COC(=O)C1=C(SC2=C1CCCCC2)N
Synonym methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylate,methyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-b thiophene-3-carboxylate,methyl 2-amino-4h,5h,6h,7h,8h-cyclohepta b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,5,6,7,8-tetrahydro-2-amino-4h-cyclohepta b thiophene-3-carboxylic acid methyl ester,methyl 2-amino-4,5,6,7,8-pentahydrocyclohepta 1,2-b thiophene-3-carboxylate,2-amino-5,6,7,8-tetrahydro-4h-cyclohepta b-thiophene-3-carboxylic acid methyl ester
Summenformel C11H15NO2S