AG0002K9

100643-71-8 | 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-

AG0002K9

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CAS Number	100643-71-8
Catalog Number	AG0002K9(AGN-PC-04XYT2)
Chemical Name	5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
IUPAC Name	13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
InChI	InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
InChI Key	JAUOIFJMECXRGI-UHFFFAOYSA-N
MDL Number	MFCD00871949
Molecular Formula	C19H19ClN2
Molecular Weight	310.8206
SMILES	ClC=1C=CC2=C(C1)CCC=3C=CC=NC3C2=C4CCNCC4
UNII	FVF865388R
Synonyms	Aerius, Clarinex, descarboethoxyloratadine, descarboethoxyloratadine acetate, desloratadine, Neoclarityn, SCH 34117, SCH-34117, Desloratadine, 100643-71-8, Clarinex, Descarboethoxyloratadine, Neoclarityn, Sch-34117, Aerius, Azomyr, Desloratidine, Denosin, Sch 34117, Descarboethoxyoratidine, Clarinex RediTabs, 8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, UNII-FVF865388R, MFCD00871949, CHEMBL1172, MLS000559042, CHEBI:291342, JAUOIFJMECXRGI-UHFFFAOYSA-N, FVF865388R, 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine, NCGC00159325-02, AK163520, CPD000149358, SMR000149358, Opulis, Allex, 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-, 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, DSSTox_CID_24196, DSSTox_RID_80112, DSSTox_GSID_44196, C19H19ClN2, Q-200936, Desloratadine [USAN], Claramax, Desalex, 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-, 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine, Clarinex (TN), CAS-100643-71-8, SR-01000668962, Desloratadine [USAN:INN:BAN], Clarinex(R), 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine, 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}-piperidine, 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}piperidine, MK-4117, AC1L3XUD, Opera_ID_1891, SCHEMBL4425, MLS000759406, MLS001201801, MLS001424247, BEN691, GTPL7157, ZINC1261, Desloratadine (JAN/USAN/INN), DTXSID1044196, CTK8B3353, HMS2052H05, HMS2090C06, HMS2093F19, HMS3394H05, HMS3652O15, HMS3715J15, Pharmakon1600-01505393, ALBB-027276, BCP02340, HY-B0539, KS-00000G0C, ZX-AN025785, Tox21_111574, ANW-42359, BBL010777, BDBM50073179, BG0513, CD0143, NSC675447, NSC759824, s4012, STK586537, AKOS000280921, Tox21_111574_1, AC-1279, API0002262, CCG-101162, CS-2639, DB00967, KS-1048, MCULE-2975958622, NC00412, NSC 675447, NSC-675447, NSC-759824, SB17503, Desloratadine, powder, >=98% (HPLC), NCGC00159325-03, NCGC00159325-04, NCGC00159325-05, AN-15105, BC205533, CC-26349, SAM001246545, SC-17296, SBI-0206828.P001, AB0012600, LS-181814, RT-012269, TL8000065, D3787, FT-0602522, R3930, ST24046429, SW197792-3, A19515, D03693, J10309, AB00456701-11, AB00456701-13, AB00456701_14, AB00456701_15, 643D718, C-19255, L001025, I06-1866, SR-01000668962-4, SR-01000668962-5, SR-01000668962-8, BRD-K82357231-001-13-4, Desloratadine, European Pharmacopoeia (EP) Reference Standard, Desloratadine, United States Pharmacopeia (USP) Reference Standard, 4-(8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine, 4-(8-chloro-5,6-dihydro-11H-benzo-[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta [1,2-b]pyridin-11-ylidene) piperidine, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene) piperidine, 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine,8-chloro-6,11-dihydro-11-(4-piperidinyllidene)-, 8-chloro-11-(4-piperidyliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta [1,2-b]pyridine, 8-chloro-11-(4-piperidyliden)-6,11-dihydro-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, 8-chloro-6,11-dihydro-11-(4-piperdinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine, 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H- benzo[5,6]cyclohepta[1,2,b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Desloratadine for system suitability, European Pharmacopoeia (EP) Reference Standard, Desloratidine, Pharmaceutical Secondary Standard; Certified Reference Material, Loratadine Related Compound A, United States Pharmacopeia (USP) Reference Standard, 13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene, 8-CHLORO-11-(4-PIPERIDYLIDENE)-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE, 8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (Descarboethoxyloratadine; Desloratadine), delopedil, Claritin, Claritin-D, Claramax (TN), NeoClarityn (TN), Aerius (TN), Desloratadine Actavis, descarboethoxyloratidine, D01GBY, Desloratadine (USAN/INN), Essex brand of desloratadine, Deoxycholic acid, sodium salt, descarboethoxyloratadine acetate, Schering brand of desloratadine, C19-H19-Cl-N2, Desloratadine, 98% - 1G 1g, CID124087, Schering-Plough brand of desloratadine, ACN-046380, BCP9000599, CS-O-00556, B1571, C121345, 5h-benzo[5,6]ciclohepta[1,2-b]piridina, 8-cloro-6,11-dihidro-11-(4-piperidinilideno)-, DCL,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.124g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	310.825g/mol
Monoisotopic Mass	310.124g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	24.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number