Narwedine

C₁₇H₁₉NO₃CAS 510-77-0285.34 g/mol

Open in Covalent MOL file

Alkene Ether Ketone Tertiary amine

Properties

Molecular formula: C₁₇H₁₉NO₃
Molar mass: 285.34 g/mol
Exact mass: 285.1365 Da
Melting point: 188–190 °C
logP: 2.06Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1
Stereocentres: S, Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H331 Toxic if inhaled100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

510-77-0

SMILES

COc1ccc2c3c1O[C@H]1CC(=O)C=C[C@@]31CCN(C)C2

InChIKey

QENVUHCAYXAROT-YOEHRIQHSA-N

InChI

InChI=1S/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-/m0/s1

Weigh it out

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

Names and synonyms

6 names

6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-
Galanthamine, 3-deoxy-3-oxo-
(4aS,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-one
Galanthaminone
(-)-Narwedine
Narwedin

Work with Narwedine

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 Lomerizine101477-55-830 % similar (±)-Tetrahydropalmatine2934-97-630 % similar

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

Same formula

Rel-(4ar,8ar)-4A,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro[3A,3,2-ef][2]benzazepin-6-one1668-86-6 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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