Canadine

C20H21NO4CAS 522-97-4339.39 g/mol

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OONOO
AcetalEtherTertiary amine

Properties

Molecular formula
C20H21NO4
Molar mass
339.39 g/mol
Exact mass
339.1471 Da
Melting point
166.5 °C
logP
3.09Crippen estimate
Polar surface area
40.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
522-97-4
SMILES
COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4
InChIKey
VZTUIEROBZXUFA-UHFFFAOYSA-N
InChI
InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-
  • Berbine, 9,10-dimethoxy-2,3-(methylenedioxy)-
  • Berberine, 9-deoxy-16,17-dihydro-
  • 5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine
  • Berberine, tetrahydro-
  • Tetrahydroberberine
  • Xanthopuccine
  • Tetrahydroumbellatine
  • (±)-Canadine
  • (±)-Tetrahydroberberine
  • Dl-Tetrahydroberberine
  • Dl-Canadine
  • NSC 36351
  • NSC 94918
  • Tetrahydroberineper
  • (+-)-Tetrahydroberberine

Work with Canadine

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

(±)-Tetrahydropalmatine10097-84-487 % similar Rotundine2934-97-687 % similar D-Tetrahydropalmatine3520-14-787 % similar (-)-Tetrahydropalmatine483-14-787 % similar Dl-Tetrahydropalmatine hydrochloride6024-85-785 % similar Stepholidine16562-13-366 % similar Corydaline518-69-456 % similar Allocryptopine485-91-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-5-aminopentanoic acid123622-48-0 Fmoc-L-norvaline135112-28-6 (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-6 (3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone201856-53-3 Dicentrine517-66-8 Fmoc-L-valine68858-20-8 Fmoc-D-valine84624-17-9 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-9

Elsewhere

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