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Evodiamine

CAT: 1410-M18707-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M18707-01Size:50 mg
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Description
Evodiamine, an indole alkaloid found in Evodia rutaescarpa, acts as an anti-inflammatory compound.
CAS Number
518-17-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
303.35
Molecular Formula
C19H17N3O
Notes
Research use only, not for human use.
Receptor
PGE

Chemical Information

Evodiamine

Evodiamine is a member of beta-carbolines.

CAS Number518-17-2
PubChem CID442088
IUPAC Name(1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
Molecular FormulaC19H17N3O
Molecular Weight303.4
XLogP3.1
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity495
SMILES
CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
InChI
InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
InChIKey
TXDUTHBFYKGSAH-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Evodiamine
CAS: 518-17-2
CID: 442088
Formula: C19H17N3O
MW: 303.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass303.137162174
Monoisotopic Mass303.137162174
Topological Polar Surface Area39.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity495
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

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CatalogName
N1600-200Evodiamine
MBS5817346(+/-)-Evodiamine
GTR19220432-01(±) -Evodiamine
OR1030825-01(?-Evodiamine

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