(7aS,13aR,13bR,13cR)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one
Properties
- Molecular formula
- C15H24N2O
- Molar mass
- 248.37 g/mol
- Exact mass
- 248.1889 Da
- Melting point
- 103–105 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 23.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
- Stereocentres
- R, R, S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
641-39-4SMILES
O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@H]34InChIKey
ZSBXGIUJOOQZMP-KYEXWDHISA-NInChI
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 1H,5H,10H-Dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one, dodecahydro-, (7aS,13aR,13bR,13cR)-
- Allomatrine
- Matridin-15-one, (6β)-
- 6-Allomatrine
- 6β-Matrine
- (+)-6-Allomatrine
- Tetrahydroisosophoramine
- (+)-Allomatrine
- 1H,5H,10H-Dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one, dodecahydro-, [7aS-(7aα,13aβ,13bα,13cβ)]-
- Allmatrine
Work with (7aS,13aR,13bR,13cR)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one
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
(-)-Sophocarpine6483-15-454 % similar
Oxymatrine16837-52-853 % similar
13,14-Didehydromatridin-15-one145572-44-751 % similar
N-Cyclohexyl-2-pyrrolidone6837-24-736 % similar
(+)-Sparteine492-08-032 % similar
Sparteine90-39-132 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.