Magnoflorine

C20H24NO4+CAS 2141-09-5342.42 g/mol

OOHOHON+
EtherPhenolQuaternary ammonium

Properties

Molecular formula
C20H24NO4+
Molar mass
342.42 g/mol
Exact mass
342.1705 Da
Melting point
208 °C
logP
3.01Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
2141-09-5
SMILES
COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3
InChIKey
YLRXAIKMLINXQY-ZDUSSCGKSA-O
InChI
InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1

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

Names and synonyms

11 names
  • 4H-Dibenzo[de,g]quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (6aS)-
  • 6Aα-Aporphinium, 1,11-dihydroxy-2,10-dimethoxy-6-methyl-
  • 4H-Dibenzo[de,g]quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-
  • (6aS)-5,6,6a,7-Tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium
  • Thalictrine
  • Escholine
  • Thalictrin
  • Escholin
  • (+)-Magnoflorine
  • α-Magnoflorine
  • (6AS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol

Work with Magnoflorine

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

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

Same formula

Elsewhere