Y 25130
Properties
- Molecular formula
- C17H21Cl2N3O3
- Molar mass
- 386.27 g/mol
- Exact mass
- 385.0960 Da
- Melting point
- 281 °C (decomposes)
- logP
- 2.52Crippen estimate
- Polar surface area
- 65.4 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
141922-90-9SMILES
CN1C(=O)COc2c(C(O)=NC3CN4CCC3CC4)cc(Cl)cc21.ClInChIKey
DBMKBKPJYAHLQP-UHFFFAOYSA-NInChI
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);1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 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-, hydrochloride (1:1)
- 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride
- Azasetron hydrochloride
- Serotone
- (±)-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-(3-quinuclidinyl)-2H-1,4-benzoxazine-8-carboxamide hydrochloride
Work with Y 25130
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.
Similar compounds
Diazepam439-14-532 % similar
Clobazam22316-47-832 % similar
Chlorodiazepam2894-68-031 % similar
Prucalopride179474-81-831 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds