chempirical

Rel-(4ar,8ar)-4A,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro[3A,3,2-ef][2]benzazepin-6-one

C17H19NO3CAS 1668-86-6285.34 g/mol

Open in Covalent MOL file
OOON
AlkeneEtherKetoneTertiary amine

Properties

Molecular formula
C17H19NO3
Molar mass
285.34 g/mol
Exact mass
285.1365 Da
Melting point
198–199 °C
logP
2.06Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
1668-86-6
SMILES
COc1ccc2c3c1O[C@H]1CC(=O)C=C[C@@]31CCN(C)C2
InChIKey
QENVUHCAYXAROT-GCMOIQJANA-N
InChI
InChI=1/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/s2

Weigh it out

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

Names and synonyms

5 names
  • 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aR,8aR)-rel-
  • Narwedine, (±)-
  • Galanthamine, 3-deoxy-3-oxo-, (±)-
  • Dl-Narwedine
  • (±)-Narwedine

Work with Rel-(4ar,8ar)-4A,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro[3A,3,2-ef][2]benzazepin-6-one

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

(-)-Galantamine357-70-066 % similar Galantamine hydrobromide1953-04-463 % similar Allocryptopine485-91-636 % similar 2,3,4-Trimethoxybenzeneacetic acid22480-91-732 % similar Sinomenine115-53-731 % similar Trimetazidine5011-34-731 % similar (±)-Tetrahydropalmatine2934-97-630 % similar (-)-Tetrahydropalmatine483-14-730 % similar

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

Same formula

Narwedine510-77-0 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one7780-20-3 N-(2,5-Diethoxyphenyl)benzamide92-22-8 Piperine94-62-2

Elsewhere

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