Azasetron
Properties
- Molecular formula
- C17H20ClN3O3
- Molar mass
- 349.82 g/mol
- Exact mass
- 349.1193 Da
- logP
- 2.09Crippen estimate
- Polar surface area
- 65.4 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
123040-69-7SMILES
CN1C(=O)COc2c(C(O)=NC3CN4CCC3CC4)cc(Cl)cc21InChIKey
WUKZPHOXUVCQOR-UHFFFAOYSA-NInChI
InChI=1S/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)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-
- 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, (±)-
- N-1-Azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxamide
- Nazasetron
Work with Azasetron
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds