chempirical

(+)-Glaucine

C21H25NO4CAS 475-81-0355.43 g/mol

Open in Covalent MOL file
OOOON
EtherTertiary amine

Properties

Molecular formula
C21H25NO4
Molar mass
355.43 g/mol
Exact mass
355.1784 Da
Melting point
124–125 °C
logP
3.47Crippen estimate
Polar surface area
40.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
475-81-0
SMILES
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
InChIKey
RUZIUYOSRDWYQF-HNNXBMFYSA-N
InChI
InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1

Weigh it out

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Names and synonyms

16 names · show all
  • 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (6aS)-
  • Glaucine
  • 6Aα-Aporphine, 1,2,9,10-tetramethoxy-
  • 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)-
  • (6aS)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline
  • d-Glaucine
  • Boldine dimethyl ether
  • Bromcholitin
  • Glauvent
  • S-(+)-Glaucine
  • O,O-Dimethylisoboldine
  • (S)-Glaucine
  • O,O-Dimethylboldine
  • N,O,O′-Trimethyllaurelliptine
  • NSC 34396
  • (6AS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Work with (+)-Glaucine

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

Dicentrine517-66-879 % similar Nuciferine475-83-277 % similar Boldine476-70-074 % similar (+)-Isocorydine475-67-266 % similar Isocorydine hydrochloride13552-72-265 % similar Cycleanine518-94-557 % similar 1-Isotetrandrine477-57-649 % similar Tetrandrine518-34-349 % similar

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

Same formula

(±)-Tetrahydropalmatine10097-84-4 Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-2 Rotundine2934-97-6 D-Tetrahydropalmatine3520-14-7 (-)-Tetrahydropalmatine483-14-7

Elsewhere

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