Reboxetine

C19H23NO3CAS 71620-89-8313.40 g/mol

Open in Covalent MOL file
OOHNO
EtherSecondary amine

Properties

Molecular formula
C19H23NO3
Molar mass
313.40 g/mol
Exact mass
313.1678 Da
logP
3.19Crippen estimate
Polar surface area
39.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
71620-89-8
SMILES
CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIKey
CBQGYUDMJHNJBX-PVIFGLDDNA-N
InChI
InChI=1/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/s2

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Names and synonyms

8 names
  • Morpholine, 2-[(R)-(2-ethoxyphenoxy)phenylmethyl]-, (2R)-rel-
  • Rel-(2R)-2-[(R)-(2-Ethoxyphenoxy)phenylmethyl]morpholine
  • Reboxitine
  • Norebox
  • Prolift
  • Vestra
  • AXS 12
  • AXS-12

Work with Reboxetine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Reboxetine mesylate98769-84-7Salt

Similar compounds

1,2-Diethoxybenzene2050-46-644 % similar 1-(2-Ethoxyphenyl)piperazine13339-01-038 % similar 1-(2-Bromoethoxy)-2-ethoxybenzene3259-03-838 % similar (Diethoxymethyl)benzene774-48-136 % similar 1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-836 % similar 3-Phenylpyrrolidine936-44-736 % similar 1-Ethoxy-2-fluorobenzene451-80-935 % similar 1-Chloro-2-ethoxybenzene614-72-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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