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Benzocycloheptapyridine

Organische polyzyklische Verbindungen, die aus einem zentralen siebengliedrigen Kohlenstoffring bestehen, der sowohl mit einem Pyridin als auch mit einem Benzol fusioniert ist.
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2

Lonafarnib, TRC

CAS: 193275-84-2 Summenformel: C27 H31 Br2 Cl N4 O2 Molekulargewicht (g/mol): 638.82 Synonym: 1-Piperidinecarboxamide, 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-,4-[2-[4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-1-piperidinecarboxamide,Lonafarnib,Sarasar,Sch 66336,Zokinvy IUPAC-Name: 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidin-1-carboxamid SMILES: NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1

IUPAC-Name 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidin-1-carboxamid
CAS 193275-84-2
Molekulargewicht (g/mol) 638.82
SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1
Synonym 1-Piperidinecarboxamide, 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-,4-[2-[4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-1-piperidinecarboxamide,Lonafarnib,Sarasar,Sch 66336,Zokinvy
Summenformel C27 H31 Br2 Cl N4 O2
3

Loratidine, Tocris Bioscience™
GREENER_CHOICE

CAS: 79794-75-5 Summenformel: C22H23ClN2O2 Molekulargewicht (g/mol): 382.888 InChI-Schlüssel: JCCNYMKQOSZNPW-UHFFFAOYSA-N Synonym: loratadine,claritin,loratidine,alavert,clarityn,lisino,clarityne,loracert,loradex,bonalerg PubChem CID: 3957 IUPAC-Name: ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1

InChI-Schlüssel JCCNYMKQOSZNPW-UHFFFAOYSA-N
IUPAC-Name ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
PubChem CID 3957
CAS 79794-75-5
Molekulargewicht (g/mol) 382.888
SMILES CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
Synonym loratadine,claritin,loratidine,alavert,clarityn,lisino,clarityne,loracert,loradex,bonalerg
Summenformel C22H23ClN2O2
4

4,8-Dichloro-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-b]Pyridin-11-on (Loratadin-Verunreinigung), TRC

CAS: 133330-60-6 Summenformel: C14 H9 Cl2 N O Molekulargewicht (g/mol): 278.13 Synonym: 4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one,Loratadine Impurity E,Loratadine Impurity 24 IUPAC-Name: 4,8-Dichloro-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-on SMILES: Clc1ccc2C(=O)c3nccc(Cl)c3CCc2c1

IUPAC-Name 4,8-Dichloro-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-on
CAS 133330-60-6
Molekulargewicht (g/mol) 278.13
SMILES Clc1ccc2C(=O)c3nccc(Cl)c3CCc2c1
Synonym 4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one,Loratadine Impurity E,Loratadine Impurity 24
Summenformel C14 H9 Cl2 N O
5

Iso Loratadin, TRC

CAS: 170727-59-0 Summenformel: C22 H23 Cl N2 O2 Molekulargewicht (g/mol): 382.88 Synonym: Ethyl 4-[(11RS)-8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-3,6-dihydropyridine-1(2H)-carboxylate,4-(8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-3,6-dihydro-1(2H)-pyridinecarboxylic acid ethyl ester,Isoloratadine IUPAC-Name: Ethyl 4-(8-Chlor-6,11-Dihydro-5H-Benzo[1,2]Cyclohepta[2,4-b]Pyridin-11-yl)-3,6-Dihydro-2H-Pyridin-1-Carboxylat SMILES: CCOC(=O)N1CCC(=CC1)C2c3ccc(Cl)cc3CCc4cccnc24

IUPAC-Name Ethyl 4-(8-Chlor-6,11-Dihydro-5H-Benzo[1,2]Cyclohepta[2,4-b]Pyridin-11-yl)-3,6-Dihydro-2H-Pyridin-1-Carboxylat
CAS 170727-59-0
Molekulargewicht (g/mol) 382.88
SMILES CCOC(=O)N1CCC(=CC1)C2c3ccc(Cl)cc3CCc4cccnc24
Synonym Ethyl 4-[(11RS)-8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-3,6-dihydropyridine-1(2H)-carboxylate,4-(8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-3,6-dihydro-1(2H)-pyridinecarboxylic acid ethyl ester,Isoloratadine
Summenformel C22 H23 Cl N2 O2
6

N-Methyldesloratadin, TRC

CAS: 38092-89-6 Summenformel: C20 H21 Cl N2 Molekulargewicht (g/mol): 324.85 Synonym: 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Loratadine Imp. G (EP) IUPAC-Name: 8-Chloro-11-(1-Methylpiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin SMILES: CN1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

IUPAC-Name 8-Chloro-11-(1-Methylpiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin
CAS 38092-89-6
Molekulargewicht (g/mol) 324.85
SMILES CN1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Synonym 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Loratadine Imp. G (EP)
Summenformel C20 H21 Cl N2
7

Loratadin-Verunreinigung F, TRC

CAS: 125743-80-8 Summenformel: C22 H24 Cl F N2 O2 Molekulargewicht (g/mol): 402.89 Synonym: 1-Piperidinecarboxylic acid, 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-, ethyl ester,5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 1-piperidinecarboxylic acid deriv.,Ethyl 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinecarboxylate,Ethyl 4-[(11RS)-8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidine-1-carboxylate IUPAC-Name: Ethyl 4-(8-Chlor-11-Fluor-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-yl)Piperidin-1-Carboxylat SMILES: CCOC(=O)N1CCC(CC1)C2(F)c3ccc(Cl)cc3CCc4cccnc24

IUPAC-Name Ethyl 4-(8-Chlor-11-Fluor-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-yl)Piperidin-1-Carboxylat
CAS 125743-80-8
Molekulargewicht (g/mol) 402.89
SMILES CCOC(=O)N1CCC(CC1)C2(F)c3ccc(Cl)cc3CCc4cccnc24
Synonym 1-Piperidinecarboxylic acid, 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-, ethyl ester,5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 1-piperidinecarboxylic acid deriv.,Ethyl 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinecarboxylate,Ethyl 4-[(11RS)-8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidine-1-carboxylate
Summenformel C22 H24 Cl F N2 O2
8

N-Desmethylazatadin, TRC

CAS: 38092-95-4 Summenformel: C19 H20 N2 Molekulargewicht (g/mol): 276.3755 Synonym: 6,11-Dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine IUPAC-Name: 11-Piperidin-4-Yliden-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin SMILES: C1CC(=C2c3ccccc3CCc4cccnc24)CCN1

IUPAC-Name 11-Piperidin-4-Yliden-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin
CAS 38092-95-4
Molekulargewicht (g/mol) 276.3755
SMILES C1CC(=C2c3ccccc3CCc4cccnc24)CCN1
Synonym 6,11-Dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Summenformel C19 H20 N2
9

11-Fluor Desloratadin, TRC

CAS: 298220-99-2 Summenformel: C19 H20 Cl F N2 Molekulargewicht (g/mol): 330.83 Synonym: 8-Chloro-11-fluoro-6,11-dihydro-11-(4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,(11RS)-8-chloro-11-fluoro-11-(piperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Desloratadine Imp. A (EP) IUPAC-Name: 8-Chloro-11-Fluoro-11-Piperidin-4-Yl-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin SMILES: FC1(C2CCNCC2)c3ccc(Cl)cc3CCc4cccnc14

IUPAC-Name 8-Chloro-11-Fluoro-11-Piperidin-4-Yl-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin
CAS 298220-99-2
Molekulargewicht (g/mol) 330.83
SMILES FC1(C2CCNCC2)c3ccc(Cl)cc3CCc4cccnc14
Synonym 8-Chloro-11-fluoro-6,11-dihydro-11-(4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,(11RS)-8-chloro-11-fluoro-11-(piperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Desloratadine Imp. A (EP)
Summenformel C19 H20 Cl F N2
10

Loratadin-N-Oxid, TRC

CAS: 165739-62-8 Summenformel: C22 H23 Cl N2 O3 Molekulargewicht (g/mol): 398.88 Synonym: 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-1-oxido-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester,1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester, N-oxide,Sch 38554,Loratadine N-Oxide IUPAC-Name: Ethyl 4-(8-Chlor-1-Oxido-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-1-ium-11-yliden)Piperidin-1-Carboxylat SMILES: CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1

IUPAC-Name Ethyl 4-(8-Chlor-1-Oxido-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-1-ium-11-yliden)Piperidin-1-Carboxylat
CAS 165739-62-8
Molekulargewicht (g/mol) 398.88
SMILES CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1
Synonym 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-1-oxido-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester,1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester, N-oxide,Sch 38554,Loratadine N-Oxide
Summenformel C22 H23 Cl N2 O3
12

5'-[(Desloratadin)methyl] Rupatadin, TRC

CAS: 1224515-72-3 Summenformel: C45H43Cl2N5 Molekulargewicht (g/mol): 724.76 Synonym: 11,11'-[3,5-Pyridinediylbis(methylene-1,4-piperidinediyl)]bis[8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Rupatadine Impurity C; SMILES: Clc1ccc2C(=C3CCN(Cc4cncc(CN5CCC(=C6c7ccc(Cl)cc7CCc8cccnc68)CC5)c4)CC3)c9ncccc9CCc2c1

CAS 1224515-72-3
Molekulargewicht (g/mol) 724.76
SMILES Clc1ccc2C(=C3CCN(Cc4cncc(CN5CCC(=C6c7ccc(Cl)cc7CCc8cccnc68)CC5)c4)CC3)c9ncccc9CCc2c1
Synonym 11,11'-[3,5-Pyridinediylbis(methylene-1,4-piperidinediyl)]bis[8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Rupatadine Impurity C;
Summenformel C45H43Cl2N5
13

N-Acetyldesloratadin, TRC

CAS: 117796-52-8 Summenformel: C21 H21 Cl N2 O Molekulargewicht (g/mol): 352.86 Synonym: Ethanone, 1-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]- (ACI),1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (ACI),11H-Benzo[5,6]cyclohepta[1,2-b]pyridine, piperidine deriv. (ZCI),Piperidine, 1-acetyl-4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)- (9CI),N-Acetyldesloratadine,Sch 37370 IUPAC-Name: 1-[4-(8-Chloro-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-Yliden)Piperidin-1-yl]Ethanon SMILES: CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

IUPAC-Name 1-[4-(8-Chloro-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-Yliden)Piperidin-1-yl]Ethanon
CAS 117796-52-8
Molekulargewicht (g/mol) 352.86
SMILES CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Synonym Ethanone, 1-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]- (ACI),1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (ACI),11H-Benzo[5,6]cyclohepta[1,2-b]pyridine, piperidine deriv. (ZCI),Piperidine, 1-acetyl-4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)- (9CI),N-Acetyldesloratadine,Sch 37370
Summenformel C21 H21 Cl N2 O
14

8-Deschloro-8-bromo Desloratadin, TRC

CAS: 117796-50-6 Summenformel: C19 H19 Br N2 Molekulargewicht (g/mol): 355.27 Synonym: Bromodesloratadine,8-Bromo-6,11-dihydro-11-(piperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine IUPAC-Name: 8-Brom-11-Piperidin-4-Yliden-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin SMILES: Brc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1

IUPAC-Name 8-Brom-11-Piperidin-4-Yliden-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin
CAS 117796-50-6
Molekulargewicht (g/mol) 355.27
SMILES Brc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1
Synonym Bromodesloratadine,8-Bromo-6,11-dihydro-11-(piperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Summenformel C19 H19 Br N2
15

Desloratadin N-Hydroxypiperidin, TRC

CAS: 1193725-73-3 Summenformel: C19 H19 Cl N2 O Molekulargewicht (g/mol): 326.82 Synonym: 8-Chloro-6,11-dihydro-11-(1-hydroxy-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-ol IUPAC-Name: 8-Chloro-11-(1-Hydroxypiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin SMILES: ON1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

IUPAC-Name 8-Chloro-11-(1-Hydroxypiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin
CAS 1193725-73-3
Molekulargewicht (g/mol) 326.82
SMILES ON1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Synonym 8-Chloro-6,11-dihydro-11-(1-hydroxy-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-ol
Summenformel C19 H19 Cl N2 O