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Benzocycloheptapyridines

Organic polycyclic compounds that consist of a central seven-membered carbon ring fused with both a pyridine and a benzene.

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2

N-Desmethyl Azatadine, TRC

CAS: 38092-95-4 Molecular Formula: C19 H20 N2 Molecular Weight (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-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine SMILES: C1CC(=C2c3ccccc3CCc4cccnc24)CCN1

CAS 38092-95-4
Molecular Weight (g/mol) 276.3755
SMILES C1CC(=C2c3ccccc3CCc4cccnc24)CCN1
Synonym 6,11-Dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
IUPAC Name 11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C19 H20 N2
4

N-Methyl Desloratadine, TRC

CAS: 38092-89-6 Molecular Formula: C20 H21 Cl N2 Molecular Weight (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-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine SMILES: CN1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

CAS 38092-89-6
Molecular Weight (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)
IUPAC Name 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C20 H21 Cl N2
5

N-Formyl Desloratadine, TRC

CAS: 117810-61-4 Molecular Formula: C20 H19 Cl N2 O Molecular Weight (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-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carbaldehyde SMILES: Clc1ccc2C(=C3CCN(CC3)C=O)c4ncccc4CCc2c1

CAS 117810-61-4
Molecular Weight (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
IUPAC Name 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carbaldehyde
Molecular Formula C20 H19 Cl N2 O
6

11-Fluoro Desloratadine, TRC

CAS: 298220-99-2 Molecular Formula: C19 H20 Cl F N2 Molecular Weight (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]pyridine SMILES: FC1(C2CCNCC2)c3ccc(Cl)cc3CCc4cccnc14

CAS 298220-99-2
Molecular Weight (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)
IUPAC Name 8-chloro-11-fluoro-11-piperidin-4-yl-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C19 H20 Cl F N2
7

3-Hydroxy Desloratadine, TRC

CAS: 119410-08-1 Molecular Formula: C19 H19 Cl N2 O Molecular Weight (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-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-3-ol SMILES: Oc1cnc2C(=C3CCNCC3)c4ccc(Cl)cc4CCc2c1

CAS 119410-08-1
Molecular Weight (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
IUPAC Name 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-3-ol
Molecular Formula C19 H19 Cl N2 O
8

Desloratadine N-Carboxylic Acid Methyl Ester, TRC

CAS: 165740-03-4 Molecular Formula: C21 H21 Cl N2 O2 Molecular Weight (g/mol): 368.86 Synonym: Methyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate,4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Methyl Ester,N-Methoxycarbonyl Desloratadine IUPAC Name: methyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate SMILES: COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

CAS 165740-03-4
Molecular Weight (g/mol) 368.86
SMILES COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Synonym Methyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate,4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Methyl Ester,N-Methoxycarbonyl Desloratadine
IUPAC Name methyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
Molecular Formula C21 H21 Cl N2 O2
9

Loratadine Impurity F, TRC

CAS: 125743-80-8 Molecular Formula: C22 H24 Cl F N2 O2 Molecular Weight (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-chloro-11-fluoro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)piperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(CC1)C2(F)c3ccc(Cl)cc3CCc4cccnc24

CAS 125743-80-8
Molecular Weight (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
IUPAC Name ethyl 4-(8-chloro-11-fluoro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)piperidine-1-carboxylate
Molecular Formula C22 H24 Cl F N2 O2
10

8-Deschloro-8-bromo Desloratadine, TRC

CAS: 117796-50-6 Molecular Formula: C19 H19 Br N2 Molecular Weight (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-bromo-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine SMILES: Brc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1

CAS 117796-50-6
Molecular Weight (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
IUPAC Name 8-bromo-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C19 H19 Br N2
11

Desloratadine N-Hydroxypiperidine, TRC

CAS: 1193725-73-3 Molecular Formula: C19 H19 Cl N2 O Molecular Weight (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-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine SMILES: ON1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

CAS 1193725-73-3
Molecular Weight (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
IUPAC Name 8-chloro-11-(1-hydroxypiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C19 H19 Cl N2 O
12

Iso Desloratadine, TRC

CAS: 183198-49-4 Molecular Formula: C19 H19 Cl N2 Molecular Weight (g/mol): 310.82 Synonym: 8-Chloro-6,11-dihydro-11-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,(11RS)-8-chloro-11-(1,2,3,6-tetrahydropyridin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Desloratadine Imp. B (EP) IUPAC Name: 8-chloro-11-(1,2,3,6-tetrahydropyridin-4-yl)-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridine SMILES: Clc1ccc2C(C3=CCNCC3)c4ncccc4CCc2c1

CAS 183198-49-4
Molecular Weight (g/mol) 310.82
SMILES Clc1ccc2C(C3=CCNCC3)c4ncccc4CCc2c1
Synonym 8-Chloro-6,11-dihydro-11-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,(11RS)-8-chloro-11-(1,2,3,6-tetrahydropyridin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Desloratadine Imp. B (EP)
IUPAC Name 8-chloro-11-(1,2,3,6-tetrahydropyridin-4-yl)-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C19 H19 Cl N2
13

11-Hydroxy-N-methyl Dihydro Loratadine, TRC

CAS: 38089-93-9 Molecular Formula: C20 H23 Cl N2 O Molecular Weight (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

CAS 38089-93-9
Molecular Weight (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
IUPAC Name 8-chloro-11-(1-methylpiperidin-4-yl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ol
Molecular Formula C20 H23 Cl N2 O
15

Desloratadine, TRC

CAS: 100643-71-8 Molecular Formula: C19 H19 Cl N2 Molecular Weight (g/mol): 310.82 Synonym: 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,8-Chloro-11-(4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Aerius,Allex,Azomyr,Clarinex,Delopedil,Descarboethoxyloratadine,Descarboethoxyloratidine,Desler,Desloratadine,Eurodesa,NSC 675447,Neoclarityn,Opulis,Sch 34117,Sedno IUPAC Name: 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine SMILES: Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1

CAS 100643-71-8
Molecular Weight (g/mol) 310.82
SMILES Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1
Synonym 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,8-Chloro-11-(4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Aerius,Allex,Azomyr,Clarinex,Delopedil,Descarboethoxyloratadine,Descarboethoxyloratidine,Desler,Desloratadine,Eurodesa,NSC 675447,Neoclarityn,Opulis,Sch 34117,Sedno
IUPAC Name 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C19 H19 Cl N2