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Dexefaroxan

CAT: 0013-GTR19209397-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209397-01Size:25 mg
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Description
Dexefaroxan
CAS Number
143249-88-1
Smiles
C (C) [C@@]1 (CC=2C (O1) =CC=CC2) C=3NCCN3
Molecular Formula
C13H16N2O
Molecular Weight
216.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dexefaroxan

Dexefaroxan is a small molecule drug. The usage of the INN stem '-oxan(e)' in the name indicates that Dexefaroxan is a benzodioxane derivative. Dexefaroxan has a monoisotopic molecular weight of 216.13 Da.

CAS Number143249-88-1
PubChem CID208820
IUPAC Name2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
Molecular FormulaC13H16N2O
Molecular Weight216.28
XLogP1.7
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity302
SMILES
CC[C@@]1(CC2=CC=CC=C2O1)C3=NCCN3
InChI
InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)/t13-/m1/s1
InChIKey
RATZLMXRALDSJW-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Dexefaroxan
CAS: 143249-88-1
CID: 208820
Formula: C13H16N2O
MW: 216.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.28
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass216.126263138
Monoisotopic Mass216.126263138
Topological Polar Surface Area33.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5813212Dexefaroxan

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