chempirical

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. Search the SDS library

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

Weigh it out

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

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 1-Ethoxy-2-fluorobenzene451-80-935 % similar 1-Chloro-2-ethoxybenzene614-72-235 % similar 2-Ethoxyaniline94-70-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook