AG009EH8

Name: (S)-2-((1S,3R,4S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
Brand: Angene Chemical
SKU: AG009EH8

135729-76-9 | (S)-2-((1S,3R,4S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride

Chemical structure of (S)-2-((1S,3R,4S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride, CAS 135729-76-9

AG009EH8

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CAS Number	135729-76-9
Catalog Number	AG009EH8(AGN-PC-0PKP47)
Chemical Name	(S)-2-((1S,3R,4S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
IUPAC Name	(3aS)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride
InChI	InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17+;/m1./s1
InChI Key	OLDRWYVIKMSFFB-KALLACGZSA-N
MDL Number	MFCD29058561
Molecular Formula	C19H25ClN2O
Molecular Weight	332.8676
SMILES	c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@H]4CN5CCC4CC5.Cl
UNII	1J5X5HPB4C
Synonyms	CHEMBL545717, 135729-76-9, UNII-1J5X5HPB4C, 1J5X5HPB4C, (R,R)-Palonosetron Hydrochloride, (S,R)-Palonosetron Hydrochloride, 135729-75-8, RS 25233-197, (S,R)Palonosetron HCl, SCHEMBL4054459, (S)-2-((1S,3R,4S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride, BDBM50000449, MFCD29058561, AKOS030485958, AC-28359, H672, (3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one Hydrochloride, Palonosetron hydrochloride, C19H25ClN2O, 135729-62-3,

Complexity	456
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	332.166g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	332.872g/mol
Monoisotopic Mass	332.166g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited