chempirical

Protopine

C20H19NO5CAS 130-86-9353.37 g/mol

Open in Covalent MOL file
NOOOOO
AcetalEtherKetoneTertiary amine

Properties

Molecular formula
C20H19NO5
Molar mass
353.37 g/mol
Exact mass
353.1263 Da
Density
1.4 g/mL
Melting point
208 °C
Water solubility
practically insoluble
logP
2.56Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P301+P317, P321, P330, P405, P501

Identifiers

CAS number
130-86-9
SMILES
CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3
InChIKey
GPTFURBXHJWNHR-UHFFFAOYSA-N
InChI
InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Bis[1,3]benzodioxolo[4,5-c:5′,6′-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-
  • 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-
  • 4,6,7,14-Tetrahydro-5-methylbis[1,3]benzodioxolo[4,5-c:5′,6′-g]azecin-13(5H)-one
  • Biflorine
  • Fumarine
  • Macleyine
  • Corydinine
  • Protopin
  • Fumarin

Work with Protopine

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

Allocryptopine485-91-681 % similar Dihydroberberine483-15-840 % similar Bicuculline485-49-439 % similar Canadine522-97-437 % similar Acetylcorynoline18797-80-335 % similar 5,6-Dimethoxy-1-indanone2107-69-934 % similar (-)-Hydrastine118-08-133 % similar 3,4-Methylenedioxypropiophenone28281-49-433 % similar

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

Same formula

Chelidonine476-32-4 Fmoc-L-hydroxyproline88050-17-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia