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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

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
3

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
4

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
5

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
6

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
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
8

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
9

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
11

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
12

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
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
14

Azatadine Dimaleate, TRC

CAS: 3978-86-7 Molecular Formula: C20 H22 N2 . 2 C4 H4 O4 Molecular Weight (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-enedioic acid;11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridine SMILES: CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O

CAS 3978-86-7
Molecular Weight (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
IUPAC Name (Z)-but-2-enedioic acid;11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridine
Molecular Formula C20 H22 N2 . 2 C4 H4 O4
15

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