(+)-Norisoboldine

C18H19NO4CAS 23599-69-1313.35 g/mol

Open in Covalent MOL file
OHOHNOOH
EtherPhenolSecondary amine

Properties

Molecular formula
C18H19NO4
Molar mass
313.35 g/mol
Exact mass
313.1314 Da
Melting point
191 °C
logP
2.52Crippen estimate
Polar surface area
71.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
23599-69-1
SMILES
COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(O)c-2c31
InChIKey
HORZNQYQXBFWNZ-LBPRGKRZSA-N
InChI
InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-, (6aS)-
  • Laurelliptine
  • 6Aα-Noraporphine-1,9-diol, 2,10-dimethoxy-
  • 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-, (S)-
  • (6aS)-5,6,6a,7-Tetrahydro-2,10-dimethoxy-4H-dibenzo[de,g]quinoline-1,9-diol
  • Norisoboldine
  • (+)-N-Norisoboldine
  • (+)-Laurelliptine
  • (S)-(+)-Laurelliptine
  • (6AS)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol

Work with (+)-Norisoboldine

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

Boldine476-70-047 % similar Cephaeline483-17-040 % similar Magnoflorine2141-09-540 % similar D-(-)-Tetrahydropapaverine hydrochloride54417-53-738 % similar Tetrahydropapaverine hydrochloride6429-04-538 % similar 7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline4602-73-737 % similar (+)-Glaucine475-81-037 % similar Phellodendrine6873-13-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Kresoxim-methyl143390-89-0 Cbz-N-methyl-L-phenylalanine2899-07-2 N-Benzoyl-L-tyrosine ethyl ester3483-82-7 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-4 (+)-Laurolitsine5890-18-6 Feruloyltyramine66648-43-9

Elsewhere

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