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Benzocycloheptapyridiner

Organiske polycykliske forbindelser, der består af en central syvleddet carbonring fusioneret med både en pyridin og en benzen.
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3

Loratadin N-oxid, TRC

CAS: 165739-62-8 Molekylær formel: C22 H23 Cl N2 O3 Molekylvægt (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 navn: Ethyl 4-(8-chlor-1-oxido-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-1-ium-11-yliden)piperidin-1-carboxylat SMIL: CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1

Molekylvægt (g/mol) 398.88
CAS 165739-62-8
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
SMIL CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4ccc[n+]([O-])c24)CC1
IUPAC navn Ethyl 4-(8-chlor-1-oxido-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-1-ium-11-yliden)piperidin-1-carboxylat
Molekylær formel C22 H23 Cl N2 O3
4

Desloratadin N-hydroxypiperidin, TRC

CAS: 1193725-73-3 Molekylær formel: C19 H19 Cl N2 O Molekylvægt (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 navn: 8-chlor-11-(1-hydroxypiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin SMIL: ON1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

Molekylvægt (g/mol) 326.82
CAS 1193725-73-3
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
SMIL ON1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
IUPAC navn 8-chlor-11-(1-hydroxypiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin
Molekylær formel C19 H19 Cl N2 O
5

N-Acetyldesloratadin, TRC

CAS: 117796-52-8 Molekylær formel: C21 H21 Cl N2 O Molekylvægt (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 navn: 1-[4-(8-chlor-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yliden)piperidin-1-yl]ethanon SMIL: CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

Molekylvægt (g/mol) 352.86
CAS 117796-52-8
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
SMIL CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
IUPAC navn 1-[4-(8-chlor-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yliden)piperidin-1-yl]ethanon
Molekylær formel C21 H21 Cl N2 O
6

Desloratadin N-Carboxylsyre Methylester, TRC

CAS: 165740-03-4 Molekylær formel: C21 H21 Cl N2 O2 Molekylvægt (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 navn: Methyl 4-(8-chlor-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yliden)piperidin-1-carboxylat SMIL: COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

Molekylvægt (g/mol) 368.86
CAS 165740-03-4
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
SMIL COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
IUPAC navn Methyl 4-(8-chlor-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yliden)piperidin-1-carboxylat
Molekylær formel C21 H21 Cl N2 O2
7

Desloratadin, TRC

CAS: 100643-71-8 Molekylær formel: C19 H19 Cl N2 Molekylvægt (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 navn: 8-klor-11-piperidin-4-yliden-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin SMIL: Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1

Molekylvægt (g/mol) 310.82
CAS 100643-71-8
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
SMIL Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1
IUPAC navn 8-klor-11-piperidin-4-yliden-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin
Molekylær formel C19 H19 Cl N2
8

5'-[(Desloratadin)methyl] Rupatadin, TRC

CAS: 1224515-72-3 Molekylær formel: C45H43Cl2N5 Molekylvægt (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; SMIL: Clc1ccc2C(=C3CCN(Cc4cncc(CN5CCC(=C6c7ccc(Cl)cc7CCc8cccnc68)CC5)c4)CC3)c9ncccc9CCc2c1

Molekylvægt (g/mol) 724.76
CAS 1224515-72-3
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;
SMIL Clc1ccc2C(=C3CCN(Cc4cncc(CN5CCC(=C6c7ccc(Cl)cc7CCc8cccnc68)CC5)c4)CC3)c9ncccc9CCc2c1
Molekylær formel C45H43Cl2N5
9

8-Deschloro-8-bromo Desloratadin, TRC

CAS: 117796-50-6 Molekylær formel: C19 H19 Br N2 Molekylvægt (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 navn: 8-bromo-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin SMIL: Brc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1

Molekylvægt (g/mol) 355.27
CAS 117796-50-6
Synonym Bromodesloratadine,8-Bromo-6,11-dihydro-11-(piperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
SMIL Brc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1
IUPAC navn 8-bromo-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin
Molekylær formel C19 H19 Br N2
10

Iso Desloratadin, TRC

CAS: 183198-49-4 Molekylær formel: C19 H19 Cl N2 Molekylvægt (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 navn: 8-chloro-11-(1,2,3,6-tetrahydropyridin-4-yl)-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin SMIL: Clc1ccc2C(C3=CCNCC3)c4ncccc4CCc2c1

Molekylvægt (g/mol) 310.82
CAS 183198-49-4
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)
SMIL Clc1ccc2C(C3=CCNCC3)c4ncccc4CCc2c1
IUPAC navn 8-chloro-11-(1,2,3,6-tetrahydropyridin-4-yl)-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin
Molekylær formel C19 H19 Cl N2
11

Loratadin, TRC

CAS: 79794-75-5 Molekylær formel: C22 H23 Cl N2 O2 Molekylvægt (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 navn: ethyl 4-(8-klor-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yliden)piperidin-1-carboxylat SMIL: CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1

Molekylvægt (g/mol) 382.88
CAS 79794-75-5
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
SMIL CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
IUPAC navn ethyl 4-(8-klor-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yliden)piperidin-1-carboxylat
Molekylær formel C22 H23 Cl N2 O2
12

Loratidine, Tocris Bioscience™
GREENER_CHOICE

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

PubChem CID 3957
Molekylvægt (g/mol) 382.888
CAS 79794-75-5
Synonym loratadine,claritin,loratidine,alavert,clarityn,lisino,clarityne,loracert,loradex,bonalerg
SMIL CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
IUPAC navn ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
InChI nøgle JCCNYMKQOSZNPW-UHFFFAOYSA-N
Molekylær formel C22H23ClN2O2
13

Lonafarnib, TRC

CAS: 193275-84-2 Molekylær formel: C27 H31 Br2 Cl N4 O2 Molekylvægt (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 navn: 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]piperidin-1-carboxamid SMIL: NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1

Molekylvægt (g/mol) 638.82
CAS 193275-84-2
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
SMIL NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35)CC1
IUPAC navn 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]piperidin-1-carboxamid
Molekylær formel C27 H31 Br2 Cl N4 O2
14

Loratadin-urenhed F, TRC

CAS: 125743-80-8 Molekylær formel: C22 H24 Cl F N2 O2 Molekylvægt (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 navn: Ethyl 4-(8-chlor-11-fluoro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)piperidin-1-carboxylat SMIL: CCOC(=O)N1CCC(CC1)C2(F)c3ccc(Cl)cc3CCc4cccnc24

Molekylvægt (g/mol) 402.89
CAS 125743-80-8
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
SMIL CCOC(=O)N1CCC(CC1)C2(F)c3ccc(Cl)cc3CCc4cccnc24
IUPAC navn Ethyl 4-(8-chlor-11-fluoro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)piperidin-1-carboxylat
Molekylær formel C22 H24 Cl F N2 O2
15

Iso Loratadine, TRC

CAS: 170727-59-0 Molekylær formel: C22 H23 Cl N2 O2 Molekylvægt (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 navn: ethyl 4-(8-chlor-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)-3,6-dihydro-2H-pyridin-1-carboxylat SMIL: CCOC(=O)N1CCC(=CC1)C2c3ccc(Cl)cc3CCc4cccnc24

Molekylvægt (g/mol) 382.88
CAS 170727-59-0
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
SMIL CCOC(=O)N1CCC(=CC1)C2c3ccc(Cl)cc3CCc4cccnc24
IUPAC navn ethyl 4-(8-chlor-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)-3,6-dihydro-2H-pyridin-1-carboxylat
Molekylær formel C22 H23 Cl N2 O2