AG000OLR

125743-80-8 | Ethyl 4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylate

AG000OLR

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CAS Number	125743-80-8
Catalog Number	AG000OLR(AGN-PC-0WH51F)
Chemical Name	Ethyl 4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylate
IUPAC Name	ethyl 4-(13-chloro-2-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate
InChI	InChI=1S/C22H24ClFN2O2/c1-2-28-21(27)26-12-9-17(10-13-26)22(24)19-8-7-18(23)14-16(19)6-5-15-4-3-11-25-20(15)22/h3-4,7-8,11,14,17H,2,5-6,9-10,12-13H2,1H3
InChI Key	OVPFJWGOZPZTKG-UHFFFAOYSA-N
MDL Number	MFCD00889812
Molecular Formula	C22H24ClFN2O2
Molecular Weight	402.8896
SMILES	O=C(N1CCC(C2(F)C3=CC=C(Cl)C=C3CCC4=CC=CN=C42)CC1)OCC
Synonyms	125743-80-8, 11-Fluoro dihydroloratadine, 1-Piperidinecarboxylic acid, 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-, ethyl ester, 1-Piperidinecarboxylic acid, 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-, ethyl ester, Ethyl 4-((11RS)-8-chloro-11-fluoro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)piperidine-1-carboxylate, Ethyl 4-[(11RS)-8-Chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidine-1-carboxylate, SCHEMBL8786385, (+/-)-11-Fluoro dihydroloratadine, Loratadine specified impurity F [EP], 4-(11-Fluoro-8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine-11-yl)piperidine-1-carboxylic acid ethyl ester, ethyl 4-(8-chloro-11-fluoro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)piperidine-1-carboxylate, Fluoroloratadine, UNII-VLO9J5175E, VLO9J5175E,

Complexity	557
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	402.151g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	402.894g/mol
Monoisotopic Mass	402.151g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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