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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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3

3-Hydroxy-Desloratadin, TRC

CAS: 119410-08-1 Summenformel: C19 H19 Cl N2 O Molekulargewicht (g/mol): 326.82 Synonym: 5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-,8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol,3-Hydroxydesloratadine,Sch 45581 IUPAC-Name: 8-Chloro-11-Piperidin-4-Yliden-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-3-ol SMILES: Oc1cnc2C(=C3CCNCC3)c4ccc(Cl)cc4CCc2c1

IUPAC-Name 8-Chloro-11-Piperidin-4-Yliden-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-3-ol
CAS 119410-08-1
Molekulargewicht (g/mol) 326.82
SMILES Oc1cnc2C(=C3CCNCC3)c4ccc(Cl)cc4CCc2c1
Synonym 5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-,8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol,3-Hydroxydesloratadine,Sch 45581
Summenformel C19 H19 Cl N2 O
4

N-Nitroso Desloratadin, TRC

CAS: 1246819-22-6 Summenformel: C19 H18 Cl N3 O Molekulargewicht (g/mol): 339.8187 Synonym: 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1-nitroso-4-piperidinylidene)-,8-Chloro-6,11-dihydro-11-(1-nitroso-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,N-Nitroso desloratadine,N-Nitrosodesloratadine IUPAC-Name: 8-Chloro-11-(1-Nitrosopiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin SMILES: Clc1ccc2C(=C3CCN(CC3)N=O)c4ncccc4CCc2c1

IUPAC-Name 8-Chloro-11-(1-Nitrosopiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin
CAS 1246819-22-6
Molekulargewicht (g/mol) 339.8187
SMILES Clc1ccc2C(=C3CCN(CC3)N=O)c4ncccc4CCc2c1
Synonym 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1-nitroso-4-piperidinylidene)-,8-Chloro-6,11-dihydro-11-(1-nitroso-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,N-Nitroso desloratadine,N-Nitrosodesloratadine
Summenformel C19 H18 Cl N3 O
5

11-Hydroxy-N-methyl Dihydroloratadin, TRC

CAS: 38089-93-9 Summenformel: C20 H23 Cl N2 O Molekulargewicht (g/mol): 342.86 Synonym: (11RS)-8-Chloro-11-hydroxy-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine IUPAC-Name: 8-Chloro-11-(1-Methylpiperidin-4-yl)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-ol SMILES: CN1CCC(CC1)C2(O)c3ccc(Cl)cc3CCc4cccnc24

IUPAC-Name 8-Chloro-11-(1-Methylpiperidin-4-yl)-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-ol
CAS 38089-93-9
Molekulargewicht (g/mol) 342.86
SMILES CN1CCC(CC1)C2(O)c3ccc(Cl)cc3CCc4cccnc24
Synonym (11RS)-8-Chloro-11-hydroxy-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Summenformel C20 H23 Cl N2 O
6

Azatadin Dimaleate, TRC

CAS: 3978-86-7 Summenformel: C20 H22 N2 . 2 C4 H4 O4 Molekulargewicht (g/mol): 522.55 Synonym: 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, (2Z)-2-butenedioate (1:2),5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, (Z)-2-butenedioate (1:2),5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidylidene)-, maleate (1:2) (8CI),5-(4'-N-Methylpiperidylidene)-4-azo-10:11-dihydrodibenzocycloheptene dimaleate,Atoramin,Azatadine dimaleate,Azatadine maleate,Bonamid,Idulian,Optimine,Sch 10649,Trinalin,Zadine IUPAC-Name: (Z)-but-2-Enedioinsäure; 11-(1-Methylpiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[3,4-b]Pyridin SMILES: CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O

IUPAC-Name (Z)-but-2-Enedioinsäure; 11-(1-Methylpiperidin-4-Yliden)-5,6-Dihydrobenzo[1,2]Cyclohepta[3,4-b]Pyridin
CAS 3978-86-7
Molekulargewicht (g/mol) 522.55
SMILES CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O
Synonym 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, (2Z)-2-butenedioate (1:2),5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, (Z)-2-butenedioate (1:2),5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidylidene)-, maleate (1:2) (8CI),5-(4'-N-Methylpiperidylidene)-4-azo-10:11-dihydrodibenzocycloheptene dimaleate,Atoramin,Azatadine dimaleate,Azatadine maleate,Bonamid,Idulian,Optimine,Sch 10649,Trinalin,Zadine
Summenformel C20 H22 N2 . 2 C4 H4 O4
7

N-Formyl-Desloratadin, TRC

CAS: 117810-61-4 Summenformel: C20 H19 Cl N2 O Molekulargewicht (g/mol): 338.83 Synonym: N-Formyldesloratadine,8-Chloro-6,11-dihydro-11-(N-formyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine IUPAC-Name: 4-(8-Chlor-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-Yliden)Piperidin-1-Carbaldehyd SMILES: Clc1ccc2C(=C3CCN(CC3)C=O)c4ncccc4CCc2c1

IUPAC-Name 4-(8-Chlor-5,6-Dihydrobenzo[1,2]Cyclohepta[2,4-b]Pyridin-11-Yliden)Piperidin-1-Carbaldehyd
CAS 117810-61-4
Molekulargewicht (g/mol) 338.83
SMILES Clc1ccc2C(=C3CCN(CC3)C=O)c4ncccc4CCc2c1
Synonym N-Formyldesloratadine,8-Chloro-6,11-dihydro-11-(N-formyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Summenformel C20 H19 Cl N2 O
8

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
9

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
10

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
11

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
12

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
13

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
14

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
15

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