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CAS No.: | 123040-69-7 |
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Name: | Azasetron Hydrochloride |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C17H20ClN3O3 |
Molecular Weight: | 349.817 |
Synonyms: | UNII-77HC7URR9Z;(- )-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide;Nazasetron;n-1-azabicyclo[2.2.2]-oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxamide, hydrochloride; |
EINECS: | 1533716-785-6 |
Density: | 1.42 g/cm3 |
Melting Point: | 301-303 °C |
Boiling Point: | 558 °C at 760 mmHg |
Flash Point: | 291.2 °C |
Appearance: | white crystalline |
Risk Codes: | R36/37/38 |
PSA: | 61.88000 |
LogP: | 1.91300 |
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Molecular Structure of 2H-1,4-Benzoxazine-8-carboxamide,N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo- (CAS NO.123040-69-7):
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CAS: 123040-69-7
Empirical Formula: C17H21Cl2N3O3
Molecular Weight: 386.2729
Flash Point: 291.2 °C
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 53.09 Å2
Enthalpy of Vaporization: 83.99 kJ/mol
Boiling Point: 558 °C at 760 mmHg
Vapour Pressure: 1.75E-12 mmHg at 25°C
Melting Point: 301-303°C
InChI
InChI=1/C17H20ClN3O3/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)
Smiles
c1(cc(C(N[C@@H]2CN3CCC2CC3)=O)c2c(c1)N(C)C(=O)CO2)Cl
Product Categories: Active Pharmaceutical Ingredients; anti-emetic; Intermediates & Fine Chemicals; Pharmaceuticals
2H-1,4-Benzoxazine-8-carboxamide,N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo- , with CAS number of 123040-69-7, can be called N-1-azabicyclo[2.2.2]-oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxamide, hydrochloride ; n-(1-azabicyclo[2.2.2]oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxamide HCl ; n-(1-azabicyclo[2.2.2]oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxamide hydrochloride ; Azasetron Hydrochloride HCl ; n-1-azabicyclo[2.2.2]-oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxamide, hydrochloride ; Azasetron Hydrochloride hydrochloride . 2H-1,4-Benzoxazine-8-carboxamide,N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo- (CAS NO.123040-69-7) is a white to off-white solid, can be used as an antiemetic.