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Chemical structure of Azasetron HCl

GC15687

Azasetron HCl

Also known as N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride

Azasetron (Y-25130) hydrochloride, a benzamide derivative, is a potent and selective 5-HT3 receptor antagonist

ChemicalCAS123040-16-4MW386.27FormulaC17H20ClN3O3·HCl
CAS number
123040-16-4
Molecular weight
386.27
Formula
C17H20ClN3O3·HCl
Solubility
H2O ： 20 mg/mL (51·78 mM; Need ultrasonic); DMSO ： 2·22 mg/mL (5·75 mM; Need ultrasonic)
InChIKey
DBMKBKPJYAHLQP-UHFFFAOYSA-N
Catalogue number
GC15687
Brand
GLPBIO
Computed properties PubChem CID 115000 · TPSA 61.9 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
61.9 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

SMILES CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl

Computed descriptors from PubChem (CID 115000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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