Palonosetron hydrochloride

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CAS135729-62-3
Purity%
Product CodeF463448
Product NamePalonosetron hydrochloride
CAS135729-62-3
Purity95.0%
Molecular weight332.87
IUPAC Name(5S)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one hydrochloride
SMILESCl.[H][C@@]12CCCC3=CC=CC(C(=O)N(C1)[C@@H]1CN4CCC1CC4)=C23
INCHI CodeInChI=1/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-;/s2
Asymmetric atoms2
LogP2.5460126
H bond acceptors2
H bond donors0
fsp30.6315789
Concept CodesHeterocycle, Amide, Tertiary amine, Amine (P+S+T), Chiral, Lactam, Hydrochloride, 6-Membered heterocycle, Chiral amide, Bicyclo[2.2.2]octane, Cyclic, Aromatic