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Cycloheptathiophenes

Organic bicyclic compounds that consist of a seven-membered ring fused with a thiophene ring; thiophenes are a five-membered ring with four carbon atoms and one sulfur atom.
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1 – 9 of 9 results
1

Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, 96%

CAS: 40106-13-6 Molecular Formula: C12H17NO2S Molecular Weight (g/mol): 239.333 MDL Number: MFCD00216932 InChI Key: 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]thiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)N

PubChem CID 292644
CAS 40106-13-6
Molecular Weight (g/mol) 239.333
MDL Number MFCD00216932
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
IUPAC Name ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
InChI Key XTUHIGALMIGZST-UHFFFAOYSA-N
Molecular Formula C12H17NO2S
2

Pizotifen N-Oxide, TRC

CAS: 28588-48-9 Chemical Name or Material: Pizotifen N-Oxide Formula Weight: 311.1344 InChI Formula: InChI=1S/C19H21NOS/c1-20(21)11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-22-18/h2-5,10,13H,6-9,11-12H2,1H3/b19-15- IUPAC Name: 4-(4,5-dihydrobenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)-1-methyl-1$l^{5}-azinane 1-oxide Molecular Formula: C19 H21 N O S Molecular Weight (g/mol): 311.44 Recommended Storage: +4°C 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;

CAS 28588-48-9
Molecular Weight (g/mol) 311.44
InChI Formula InChI=1S/C19H21NOS/c1-20(21)11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-22-18/h2-5,10,13H,6-9,11-12H2,1H3/b19-15-
Chemical Name or Material Pizotifen N-Oxide
Synonym 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-piperidine 1-Oxide;
SMILES CN1(=O)CCC(=C2c3ccccc3CCc4sccc24)CC1
Recommended Storage +4°C
Molecular Formula C19 H21 N O S
IUPAC Name 4-(4,5-dihydrobenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)-1-methyl-1$l^{5}-azinane 1-oxide
Formula Weight 311.1344
3

9,10-Dioxo Ketotifen, TRC

CAS: 43076-16-0 Chemical Name or Material: 9,10-Dioxo Ketotifen Formula Weight: 323.098 InChI Formula: InChI=1S/C19H17NO2S/c1-20-9-6-12(7-10-20)16-13-4-2-3-5-14(13)17(21)18(22)19-15(16)8-11-23-19/h2-5,8,11H,6-7,9-10H2,1H3 IUPAC Name: 10-(1-methylpiperidin-4-ylidene)benzo[1,2]cyclohepta[2,4-b]thiophene-4,5-dione Molecular Formula: C19 H17 N O2 S Molecular Weight (g/mol): 323.41 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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

Percent Purity >95%
CAS 43076-16-0
Molecular Weight (g/mol) 323.41
InChI Formula InChI=1S/C19H17NO2S/c1-20-9-6-12(7-10-20)16-13-4-2-3-5-14(13)17(21)18(22)19-15(16)8-11-23-19/h2-5,8,11H,6-7,9-10H2,1H3
Chemical Name or Material 9,10-Dioxo Ketotifen
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
SMILES CN1CCC(=C2c3ccccc3C(=O)C(=O)c4sccc24)CC1
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C19 H17 N O2 S
IUPAC Name 10-(1-methylpiperidin-4-ylidene)benzo[1,2]cyclohepta[2,4-b]thiophene-4,5-dione
Formula Weight 323.098
4

Pizotyline, TRC

CAS: 15574-96-6 Chemical Name or Material: Pizotyline Formula Weight: 295.1395 InChI Formula: InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3 IUPAC Name: 4-(4,5-dihydrobenzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene)-1-methylpiperidine Molecular Formula: C19 H21 N S Molecular Weight (g/mol): 295.44 Recommended Storage: +4°C 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

CAS 15574-96-6
Molecular Weight (g/mol) 295.44
InChI Formula InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
Chemical Name or Material Pizotyline
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
SMILES CN1CCC(=C2c3ccccc3CCc4sccc24)CC1
Recommended Storage +4°C
Molecular Formula C19 H21 N S
IUPAC Name 4-(4,5-dihydrobenzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene)-1-methylpiperidine
Formula Weight 295.1395
5

Ketotifen Fumarate, TRC

CAS: 34580-14-8 Chemical Name or Material: Ketotifen Hydrogen Fumarate InChI Formula: InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ IUPAC Name: (E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one Molecular Formula: C19 H19 N O S . C4 H4 O4 Molecular Weight (g/mol): 425.5

CAS 34580-14-8
Molecular Weight (g/mol) 425.5
InChI Formula InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
Chemical Name or Material Ketotifen Hydrogen Fumarate
Molecular Formula C19 H19 N O S . C4 H4 O4
IUPAC Name (E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one
6

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

CAS: 4673-38-5 Chemical Name or Material: 10-Deoxo-9,10-dehydro Ketotifen Formula Weight: 293.1238 InChI Formula: InChI=1S/C19H19NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-7,10,13H,8-9,11-12H2,1H3 IUPAC Name: 4-benzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene-1-methylpiperidine Molecular Formula: C19 H19 N S Molecular Weight (g/mol): 293.43 Recommended Storage: +4°C 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)

CAS 4673-38-5
Molecular Weight (g/mol) 293.43
InChI Formula InChI=1S/C19H19NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-7,10,13H,8-9,11-12H2,1H3
Chemical Name or Material 10-Deoxo-9,10-dehydro Ketotifen
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)
SMILES CN1CCC(=C2c3ccccc3C=Cc4sccc24)CC1
Recommended Storage +4°C
Molecular Formula C19 H19 N S
IUPAC Name 4-benzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene-1-methylpiperidine
Formula Weight 293.1238
8

Methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, 95%, Thermo Scientific™

CAS: 184174-81-0 Molecular Formula: C11H15NO2S Molecular Weight (g/mol): 225.31 InChI Key: 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]thiophene-3-carboxylate SMILES: COC(=O)C1=C(SC2=C1CCCCC2)N

PubChem CID 2756554
CAS 184174-81-0
Molecular Weight (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
IUPAC Name methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
InChI Key BDPLKEMLVDUYRR-UHFFFAOYSA-N
Molecular Formula C11H15NO2S
9

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

CAS: 184174-81-0 Molecular Formula: C11H15NO2S Molecular Weight (g/mol): 225.306 MDL Number: MFCD01114967 InChI Key: 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]thiophene-3-carboxylate SMILES: COC(=O)C1=C(SC2=C1CCCCC2)N

PubChem CID 2756554
CAS 184174-81-0
Molecular Weight (g/mol) 225.306
MDL Number MFCD01114967
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
IUPAC Name methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
InChI Key BDPLKEMLVDUYRR-UHFFFAOYSA-N
Molecular Formula C11H15NO2S