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Mesembrine

CAT: 0013-GTR19221590-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221590-05Size:50 mg
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Description
(+) -Mesembrine is a potent and selective aryloctahydroindole alkaloid that acts as a serotonin transporter (SERT) inhibitor (K i = 1.4 nM) and a phosphodiesterase 4B (PDE4B) inhibitor (IC50 = 7.8 μM) . This dual activity profile makes it a valuable research tool for neuropharmacological studies, particularly in investigating mood disorders and cognitive function in vitro.
CAS Number
468-53-1
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
[H][C@@]12CC (=O) CC[C@@]1 (CCN2C) c1ccc (OC) c (OC) c1
Molecular Formula
C17H23NO3
Molecular Weight
289.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Mesembrine
CAS Number468-53-1
PubChem CID193296
IUPAC Name(3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
Molecular FormulaC17H23NO3
Molecular Weight289.4
XLogP2
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity399
SMILES
CN1CC[C@@]2([C@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m1/s1
InChIKey
DAHIQPJTGIHDGO-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of (+)-Mesembrine
CAS: 468-53-1
CID: 193296
Formula: C17H23NO3
MW: 289.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass289.16779360
Monoisotopic Mass289.16779360
Topological Polar Surface Area38.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AAA46853-01(+) -Mesembrine
T28019-01(-) -Mesembrine
TRC-M338950-5MGMesembrine
MBS5777717(-)-Mesembrine
sc-487754Mesembrine-d3

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