chempirical

Coptisine sulfate

C19H14NO4+CAS 1198398-71-8320.32 g/mol

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Properties

Molecular formula
C19H14NO4+
Molar mass
320.32 g/mol
Exact mass
320.0923 Da
logP
2.81Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
1198398-71-8
SMILES
C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6
InChIKey
XYHOBCMEDLZUMP-UHFFFAOYSA-N
InChI
InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1

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Names and synonyms

1 names
  • Coptisine

Work with Coptisine sulfate

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

Coptisine hydrochloride6020-18-493 % similar Epiberberine6873-09-285 % similar Berberine2086-83-177 % similar Berberine hydrochloride633-65-873 % similar Palmatine3486-67-765 % similar Neutral berberine sulfate316-41-665 % similar Berberine bisulfate633-66-963 % similar Palmatine chloride10605-02-462 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook