chempirical

Dehydrocorydaline nitrate

C22H24N2O7CAS 13005-09-9428.44 g/mol

Open in Covalent MOL file
N+OOOON+OO−O−
EtherNitro

Properties

Molecular formula
C22H24N2O7
Molar mass
428.44 g/mol
Exact mass
428.1584 Da
logP
3.45Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4

Identifiers

CAS number
13005-09-9
SMILES
CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC.[N+](=O)([O-])[O-]
InChIKey
CZZFYGAXGATDNG-UHFFFAOYSA-N
InChI
InChI=1S/C22H24NO4.NO3/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23;2-1(3)4/h6-7,10-12H,8-9H2,1-5H3;/q+1;-1

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Work with Dehydrocorydaline nitrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dehydrocorydaline30045-16-083 % similar Palmatine3486-67-752 % similar Palmatine chloride10605-02-450 % similar Berberine2086-83-147 % similar Neutral berberine sulfate316-41-645 % similar Berberine hydrochloride633-65-845 % similar Columbamine3621-36-144 % similar Berberine bisulfate633-66-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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