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Evodine

CAT: 0013-GTR19217298-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217298-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Evodine has antinociceptive activity.
CAS Number
6989-38-4
Purity
>98% (HPLC)
Smiles
CC (=C) C (COC1=C (C2=C (C=C1) C (=C3C=COC3=N2) OC) OC) O
Molecular Formula
C18H19NO5
Molecular Weight
329.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Evodine

Evodine has been reported in Tetradium ruticarpum, Skimmia reevesiana, and other organisms with data available.

CAS Number6989-38-4
PubChem CID398789
IUPAC Name1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol
Molecular FormulaC18H19NO5
Molecular Weight329.3
XLogP3.5
Topological Polar Surface Area74
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity445
SMILES
CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O
InChI
InChI=1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3
InChIKey
LNJTUUHDKCPQAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Evodine
CAS: 6989-38-4
CID: 398789
Formula: C18H19NO5
MW: 329.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass329.12632271
Monoisotopic Mass329.12632271
Topological Polar Surface Area74 Ų
Heavy Atom Count24
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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