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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 – 8 of 8 results
2

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
4

N-Nitroso Desloratadine, TRC

CAS: 1246819-22-6 Chemical Name or Material: 8-Chloro-6,11-dihydro-11-(1-nitroso-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Formula Weight: 339.1138 InChI Formula: InChI=1S/C19H18ClN3O/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-21-19(14)18(17)13-7-10-23(22-24)11-8-13/h1-2,5-6,9,12H,3-4,7-8,10-11H2 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 Molecular Weight (g/mol): 339.8187 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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

Percent Purity >95%
CAS 1246819-22-6
Molecular Weight (g/mol) 339.8187
InChI Formula InChI=1S/C19H18ClN3O/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-21-19(14)18(17)13-7-10-23(22-24)11-8-13/h1-2,5-6,9,12H,3-4,7-8,10-11H2
Chemical Name or Material 8-Chloro-6,11-dihydro-11-(1-nitroso-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
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
SMILES Clc1ccc2C(=C3CCN(CC3)N=O)c4ncccc4CCc2c1
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C19 H18 Cl N3 O
IUPAC Name 8-chloro-11-(1-nitrosopiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
Formula Weight 339.1138
6

Loratadine N-Oxide, TRC

CAS: 165739-62-8 Chemical Name or Material: Loratadine N-Oxide Formula Weight: 398.1397 InChI Formula: InChI=1S/C22H23ClN2O3/c1-2-28-22(26)24-12-9-15(10-13-24)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-25(27)21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 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 Molecular Weight (g/mol): 398.88 Recommended Storage: -20°C 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

CAS 165739-62-8
Molecular Weight (g/mol) 398.88
InChI Formula InChI=1S/C22H23ClN2O3/c1-2-28-22(26)24-12-9-15(10-13-24)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-25(27)21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
Chemical Name or Material Loratadine N-Oxide
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
SMILES CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1
Recommended Storage -20°C
Molecular Formula C22 H23 Cl N2 O3
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
Formula Weight 398.1397
7

Lonafarnib, TRC

CAS: 193275-84-2 Chemical Name or Material: Lonafarnib Formula Weight: 636.0502 InChI Formula: InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1 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 Molecular Weight (g/mol): 638.82 Recommended Storage: 4°C 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

CAS 193275-84-2
Molecular Weight (g/mol) 638.82
InChI Formula InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
Chemical Name or Material Lonafarnib
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
SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1
Recommended Storage 4°C
Molecular Formula C27 H31 Br2 Cl N4 O2
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
Formula Weight 636.0502
8

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