chempirical

Chelidonine

C20H19NO5CAS 476-32-4353.37 g/mol

Open in Covalent MOL file
NOOOHOO
AcetalAlcoholEtherTertiary amine

Properties

Molecular formula
C20H19NO5
Molar mass
353.37 g/mol
Exact mass
353.1263 Da
Melting point
135.5 °C
logP
2.33Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
0
Stereocentres
R, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
476-32-4
SMILES
CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3
InChIKey
GHKISGDRQRSCII-ZOCIIQOWSA-N
InChI
InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-
  • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, [5bR-(5bα,6β,12bα)]-
  • (5bR,6S,12bS)-5b,6,7,12b,13,14-Hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol
  • Stylophorine
  • [5bR-(5bα,6β,12bα)]-5b,6,7,12b,13,14-Hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol
  • Chelidonin
  • (+)-Chelidonine

Work with Chelidonine

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

Corynoline18797-79-056 % similar Acetylcorynoline18797-80-346 % similar Bicuculline485-49-443 % similar (-)-Hydrastine118-08-137 % similar Canadine522-97-437 % similar Dihydrolycorine6271-21-236 % similar Noscapine128-62-134 % similar Noscapine hydrochloride912-60-733 % similar

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

Same formula

Protopine130-86-9 Fmoc-L-hydroxyproline88050-17-3

Elsewhere

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