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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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1

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
2

N-Nitroso Desloratadine, TRC

CAS: 1246819-22-6 Molecular Formula: C19 H18 Cl N3 O Molecular Weight (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-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine SMILES: Clc1ccc2C(=C3CCN(CC3)N=O)c4ncccc4CCc2c1

CAS 1246819-22-6
Molecular Weight (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
IUPAC Name 8-chloro-11-(1-nitrosopiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Formula C19 H18 Cl N3 O
3

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
4

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
5

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
6

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
7

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
9

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
10

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

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