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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

Loratadine N-Oxide, TRC

CAS: 165739-62-8 Molecular Formula: C22 H23 Cl N2 O3 Molecular Weight (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-chloro-1-oxido-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-1-ium-11-ylidene)piperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1

CAS 165739-62-8
Molecular Weight (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
IUPAC Name ethyl 4-(8-chloro-1-oxido-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-1-ium-11-ylidene)piperidine-1-carboxylate
Molecular Formula C22 H23 Cl N2 O3
4

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
5

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
6

5’-[(Desloratadine)methyl] Rupatadine, TRC

CAS: 1224515-72-3 Molecular Formula: C45H43Cl2N5 Molecular Weight (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
Molecular Weight (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;
Molecular Formula C45H43Cl2N5
7

N-Acetyldesloratadine, TRC

CAS: 117796-52-8 Molecular Formula: C21 H21 Cl N2 O Molecular Weight (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-ylidene)piperidin-1-yl]ethanone SMILES: CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

CAS 117796-52-8
Molecular Weight (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
IUPAC Name 1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone
Molecular Formula C21 H21 Cl N2 O
8

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
9

Loratadine, TRC

CAS: 79794-75-5 Molecular Formula: C22 H23 Cl N2 O2 Molecular Weight (g/mol): 382.88 Synonym: 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester,11H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 1-piperidinecarboxylic acid deriv.,Alavert,Anhissen,Bonalerg,Civeran,Claratyne,Claritin,Claritine,Clarityn,Clarityne,Clarotadin,Cronopen,Erolin,Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate,Flonidan,Fristamin,Histaloran,Klarifer,Klaritin,Lertamine,Lisino,Lomilan,Loracert,Loradex,Loranox,Lorastine,Loratadine,Loratidine,Loratyne,Lorfast,Lowadina,Optimin,Polaratyne,Pylor,Restamine,Sch 29851,Sensibit,Sohotin,Symphoral,Tadine,Velodan,Zeos 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(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

CAS 79794-75-5
Molecular Weight (g/mol) 382.88
SMILES CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Synonym 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester,11H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 1-piperidinecarboxylic acid deriv.,Alavert,Anhissen,Bonalerg,Civeran,Claratyne,Claritin,Claritine,Clarityn,Clarityne,Clarotadin,Cronopen,Erolin,Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate,Flonidan,Fristamin,Histaloran,Klarifer,Klaritin,Lertamine,Lisino,Lomilan,Loracert,Loradex,Loranox,Lorastine,Loratadine,Loratidine,Loratyne,Lorfast,Lowadina,Optimin,Polaratyne,Pylor,Restamine,Sch 29851,Sensibit,Sohotin,Symphoral,Tadine,Velodan,Zeos
IUPAC Name ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
Molecular Formula C22 H23 Cl N2 O2
10

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
11

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
12

Lonafarnib, TRC

CAS: 193275-84-2 Molecular Formula: C27 H31 Br2 Cl N4 O2 Molecular Weight (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]piperidine-1-carboxamide SMILES: NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1

CAS 193275-84-2
Molecular Weight (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
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]piperidine-1-carboxamide
Molecular Formula C27 H31 Br2 Cl N4 O2
13

Loratidine, Tocris Bioscience™
GREENER_CHOICE

CAS: 79794-75-5 Molecular Formula: C22H23ClN2O2 Molecular Weight (g/mol): 382.888 InChI Key: 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

PubChem CID 3957
CAS 79794-75-5
Molecular Weight (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
IUPAC Name ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
InChI Key JCCNYMKQOSZNPW-UHFFFAOYSA-N
Molecular Formula C22H23ClN2O2
14

4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (Loratadine Impurity), TRC

CAS: 133330-60-6 Molecular Formula: C14 H9 Cl2 N O Molecular Weight (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-one SMILES: Clc1ccc2C(=O)c3nccc(Cl)c3CCc2c1

CAS 133330-60-6
Molecular Weight (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
IUPAC Name 4,8-dichloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-one
Molecular Formula C14 H9 Cl2 N O
15

Iso Loratadine, TRC

CAS: 170727-59-0 Molecular Formula: C22 H23 Cl N2 O2 Molecular Weight (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-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)-3,6-dihydro-2H-pyridine-1-carboxylate SMILES: CCOC(=O)N1CCC(=CC1)C2c3ccc(Cl)cc3CCc4cccnc24

CAS 170727-59-0
Molecular Weight (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
IUPAC Name ethyl 4-(8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Molecular Formula C22 H23 Cl N2 O2