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Benzocicloheptapiridinas

Compuestos policíclicos orgánicos que consisten en un anillo central de carbono de siete miembros fusionado con una piridina y un benceno.
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2

Lonafarnib, TRC

CAS: 193275-84-2 Fórmula molecular: C27 H31 Br2 Cl N4 O2 Peso molecular (g/mol): 638.82 Sinónimo: 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 Nombre IUPAC: 4-[2-[4-[(11R)-3,10-dibromo-8-cloro-6,11-dihidro-5H-benzo[1,2]ciclohepta[2,4-b]piridina-11-il]piperidina-1-il]-2-oxoetil]piperidina-1-carboxamida SMILES: NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1

Sinónimo 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
Fórmula molecular C27 H31 Br2 Cl N4 O2
CAS 193275-84-2
Peso molecular (g/mol) 638.82
SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1
Nombre IUPAC 4-[2-[4-[(11R)-3,10-dibromo-8-cloro-6,11-dihidro-5H-benzo[1,2]ciclohepta[2,4-b]piridina-11-il]piperidina-1-il]-2-oxoetil]piperidina-1-carboxamida
3

Loratidine, Tocris Bioscience™
GREENER_CHOICE

CAS: 79794-75-5 Fórmula molecular: C22H23ClN2O2 Peso molecular (g/mol): 382.888 Clave InChI: JCCNYMKQOSZNPW-UHFFFAOYSA-N Sinónimo: loratadine,claritin,loratidine,alavert,clarityn,lisino,clarityne,loracert,loradex,bonalerg PubChem CID: 3957 Nombre IUPAC: 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

Sinónimo loratadine,claritin,loratidine,alavert,clarityn,lisino,clarityne,loracert,loradex,bonalerg
Clave InChI JCCNYMKQOSZNPW-UHFFFAOYSA-N
PubChem CID 3957
Fórmula molecular C22H23ClN2O2
CAS 79794-75-5
Peso molecular (g/mol) 382.888
SMILES CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
Nombre IUPAC ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
4

4,8-dicloro-5,6-dihidro-11H-benzo[5,6]ciclohepta[1,2-b]piridina-11-one (Impureza de Loratadina), TRC

CAS: 133330-60-6 Fórmula molecular: C14 H9 Cl2 N O Peso molecular (g/mol): 278.13 Sinónimo: 4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one,Loratadine Impurity E,Loratadine Impurity 24 Nombre IUPAC: 4,8-dicloro-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-11-una SMILES: Clc1ccc2C(=O)c3nccc(Cl)c3CCc2c1

Sinónimo 4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one,Loratadine Impurity E,Loratadine Impurity 24
Fórmula molecular C14 H9 Cl2 N O
CAS 133330-60-6
Peso molecular (g/mol) 278.13
SMILES Clc1ccc2C(=O)c3nccc(Cl)c3CCc2c1
Nombre IUPAC 4,8-dicloro-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-11-una
5

Iso Loratadine, TRC

CAS: 170727-59-0 Fórmula molecular: C22 H23 Cl N2 O2 Peso molecular (g/mol): 382.88 Sinónimo: 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 Nombre IUPAC: etil 4-(8-cloro-6,11-dihidro-5H-benzo[1,2]ciclohepta[2,4-b]piridina-11-il)-3,6-dihidro-2H-piridina-1-carboxilato SMILES: CCOC(=O)N1CCC(=CC1)C2c3ccc(Cl)cc3CCc4cccnc24

Sinónimo 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
Fórmula molecular C22 H23 Cl N2 O2
CAS 170727-59-0
Peso molecular (g/mol) 382.88
SMILES CCOC(=O)N1CCC(=CC1)C2c3ccc(Cl)cc3CCc4cccnc24
Nombre IUPAC etil 4-(8-cloro-6,11-dihidro-5H-benzo[1,2]ciclohepta[2,4-b]piridina-11-il)-3,6-dihidro-2H-piridina-1-carboxilato
6

N-Metila Desloratadina, TRC

CAS: 38092-89-6 Fórmula molecular: C20 H21 Cl N2 Peso molecular (g/mol): 324.85 Sinónimo: 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Loratadine Imp. G (EP) Nombre IUPAC: 8-cloro-11-(1-metilpiperidina-4-ilideno)-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina SMILES: CN1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

Sinónimo 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,Loratadine Imp. G (EP)
Fórmula molecular C20 H21 Cl N2
CAS 38092-89-6
Peso molecular (g/mol) 324.85
SMILES CN1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Nombre IUPAC 8-cloro-11-(1-metilpiperidina-4-ilideno)-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina
7

Impureza Loratadina F, TRC

CAS: 125743-80-8 Fórmula molecular: C22 H24 Cl F N2 O2 Peso molecular (g/mol): 402.89 Sinónimo: 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 Nombre IUPAC: Etil 4-(8-cloro-11-fluoro-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-11-il)piperidina-1-carboxilato SMILES: CCOC(=O)N1CCC(CC1)C2(F)c3ccc(Cl)cc3CCc4cccnc24

Sinónimo 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
Fórmula molecular C22 H24 Cl F N2 O2
CAS 125743-80-8
Peso molecular (g/mol) 402.89
SMILES CCOC(=O)N1CCC(CC1)C2(F)c3ccc(Cl)cc3CCc4cccnc24
Nombre IUPAC Etil 4-(8-cloro-11-fluoro-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-11-il)piperidina-1-carboxilato
8

N-Desmetil Azatadina, TRC

CAS: 38092-95-4 Fórmula molecular: C19 H20 N2 Peso molecular (g/mol): 276.3755 Sinónimo: 6,11-Dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Nombre IUPAC: 11-piperidina-4-ilideno-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina SMILES: C1CC(=C2c3ccccc3CCc4cccnc24)CCN1

Sinónimo 6,11-Dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Fórmula molecular C19 H20 N2
CAS 38092-95-4
Peso molecular (g/mol) 276.3755
SMILES C1CC(=C2c3ccccc3CCc4cccnc24)CCN1
Nombre IUPAC 11-piperidina-4-ilideno-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina
9

11-Fluoro Desloratadina, TRC

CAS: 298220-99-2 Fórmula molecular: C19 H20 Cl F N2 Peso molecular (g/mol): 330.83 Sinónimo: 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) Nombre IUPAC: 8-cloro-11-fluoro-11-piperidina-4-il-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina SMILES: FC1(C2CCNCC2)c3ccc(Cl)cc3CCc4cccnc14

Sinónimo 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)
Fórmula molecular C19 H20 Cl F N2
CAS 298220-99-2
Peso molecular (g/mol) 330.83
SMILES FC1(C2CCNCC2)c3ccc(Cl)cc3CCc4cccnc14
Nombre IUPAC 8-cloro-11-fluoro-11-piperidina-4-il-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina
10

Loratadina N-óxido, TRC

CAS: 165739-62-8 Fórmula molecular: C22 H23 Cl N2 O3 Peso molecular (g/mol): 398.88 Sinónimo: 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 Nombre IUPAC: etil 4-(8-cloro-1-oxido-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-1-ium-11-ilidena)piperidina-1-carboxilato SMILES: CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1

Sinónimo 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
Fórmula molecular C22 H23 Cl N2 O3
CAS 165739-62-8
Peso molecular (g/mol) 398.88
SMILES CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1
Nombre IUPAC etil 4-(8-cloro-1-oxido-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-1-ium-11-ilidena)piperidina-1-carboxilato
12

5'-[(Desloratadine)metil] Rupatadine, TRC

CAS: 1224515-72-3 Fórmula molecular: C45H43Cl2N5 Peso molecular (g/mol): 724.76 Sinónimo: 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

Sinónimo 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;
Fórmula molecular C45H43Cl2N5
CAS 1224515-72-3
Peso molecular (g/mol) 724.76
SMILES Clc1ccc2C(=C3CCN(Cc4cncc(CN5CCC(=C6c7ccc(Cl)cc7CCc8cccnc68)CC5)c4)CC3)c9ncccc9CCc2c1
13

N-Acetildesloratadina, TRC

CAS: 117796-52-8 Fórmula molecular: C21 H21 Cl N2 O Peso molecular (g/mol): 352.86 Sinónimo: 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 Nombre IUPAC: 1-[4-(8-cloro-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-11-ilideno)piperidina-1-il]etanona SMILES: CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

Sinónimo 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
Fórmula molecular C21 H21 Cl N2 O
CAS 117796-52-8
Peso molecular (g/mol) 352.86
SMILES CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Nombre IUPAC 1-[4-(8-cloro-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina-11-ilideno)piperidina-1-il]etanona
14

8-Descloro-8-bromo Desloratadina, TRC

CAS: 117796-50-6 Fórmula molecular: C19 H19 Br N2 Peso molecular (g/mol): 355.27 Sinónimo: Bromodesloratadine,8-Bromo-6,11-dihydro-11-(piperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine Nombre IUPAC: 8-bromo-11-piperidina-4-ilideno-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina SMILES: Brc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1

Sinónimo Bromodesloratadine,8-Bromo-6,11-dihydro-11-(piperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Fórmula molecular C19 H19 Br N2
CAS 117796-50-6
Peso molecular (g/mol) 355.27
SMILES Brc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1
Nombre IUPAC 8-bromo-11-piperidina-4-ilideno-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina
15

Desloratadina N-Hidroxipiperidina, TRC

CAS: 1193725-73-3 Fórmula molecular: C19 H19 Cl N2 O Peso molecular (g/mol): 326.82 Sinónimo: 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 Nombre IUPAC: 8-cloro-11-(1-hidroxipiperidina-4-ilideno)-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina SMILES: ON1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

Sinónimo 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
Fórmula molecular C19 H19 Cl N2 O
CAS 1193725-73-3
Peso molecular (g/mol) 326.82
SMILES ON1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
Nombre IUPAC 8-cloro-11-(1-hidroxipiperidina-4-ilideno)-5,6-dihidrobenzo[1,2]ciclohepta[2,4-b]piridina