chempirical

Corytuberine methochloride

C20H24ClNO4CAS 6681-18-1377.87 g/mol

Open in Covalent MOL file
OO−OOHN+HCl
EtherPhenolQuaternary ammonium

Properties

Molecular formula
C20H24ClNO4
Molar mass
377.87 g/mol
Exact mass
377.1394 Da
Melting point
236–237 °C
logP
2.80Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
6681-18-1
SMILES
COc1cc2c3c(c1[O-])-c1c(ccc(OC)c1O)C[C@@H]3[N+](C)(C)CC2.Cl
InChIKey
STVJLBTYWBXDBP-ZOWNYOTGSA-N
InChI
InChI=1S/C20H23NO4.ClH/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);1H/t13-;/m0./s1

Weigh it out

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

Names and synonyms

8 names
  • Magnoflorine, chloride
  • 4H-Dibenzo[de,g]quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, chloride (1:1), (6aS)-
  • 6Aα-Aporphinium, 1,11-dihydroxy-2,10-dimethoxy-6-methyl-, chloride
  • 4H-Dibenzo[de,g]quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, chloride, (S)-
  • 4H-Dibenzo[de,g]quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, chloride, (6aS)-
  • Escholine chloride
  • Thalictrine chloride
  • NSC 150443

Work with Corytuberine methochloride

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

Magnoflorine2141-09-577 % similar Tubocurarine57-94-344 % similar (+)-Isocorydine475-67-244 % similar Phellodendrine6873-13-837 % similar (+)-Norisoboldine23599-69-133 % similar Dl-Tetrahydropalmatine hydrochloride6024-85-732 % similar (±)-Tetrahydropalmatine2934-97-631 % similar (-)-Tetrahydropalmatine483-14-731 % similar

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

Same formula

Phellodendrine chloride104112-82-5 Isocorydine hydrochloride13552-72-2 Naltrexone hydrochloride16676-29-2

Elsewhere

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