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Azasetron-[d3] Hydrochloride

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General Information
Catalog: BLP-010686
CAS: 1216505-58-6
Molecular Formula: C17H18D3Cl2N3O3
Molecular Weight: 389.29

Chemical Structure

Description	Azasetron-[d3] Hydrochloride is the labelled analogue of Azasetron Hydrochloride, which is a 5-HT3 receptor antagonist and used as an antiemetic.
Synonyms	Azasetron-d3 Hydrochloride; N-1-Azabicyclo[2.2.2]-oct-3-yl-6-chloro-3,4-dihydro-4-(methyl-d3)-3-oxo-2H-1,4-benzoxazine-8-carboxamide Hydrochloride; Serotone-d3; Nazasetron-d3; Y-25130-d3 hydrochloride; 6-chloro-4-methyl-3-oxo-N-(quinuclidin-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxamide-d3 hydrochloride
IUPAC Name	N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-3-oxo-4-(trideuteriomethyl)-1,4-benzoxazine-8-carboxamide;hydrochloride
Related CAS	123040-69-7 (unlabelled) 1216666-80-6 (free base)
Isomeric SMILES	[2H]C([2H])([2H])N1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl
Canonical SMILES	CN1C(=O)COC2=C1C=C(C=C2C(=O)NC3CN4CCC3CC4)Cl.Cl
InChI	InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H/i1D3;
InChI Key	DBMKBKPJYAHLQP-NIIDSAIPSA-N
Melting Point	>270°C (dec.)
Purity	98%; ≥99% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C