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(-) -Mesembrine

CAT: 0013-GTR19197083-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197083-01Size:1 mg
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Description
Mesembrine is a serotonin reuptake inhibitor and a weak PDE4 inhibitor. This dual activity makes it a useful research tool for investigating neuropharmacology, particularly in studies of depression and cognition, using both in vitro and in vivo experimental models.
CAS Number
24880-43-1
Field of Research
Metabolism Research
Smiles
CN1[C@@]2 ([C@] (CC1) (CCC (=O) C2) C3=CC (OC) =C (OC) C=C3) [H]
Molecular Formula
C17H23NO3
Molecular Weight
289.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mesembrine

Mesembrine is a member of pyrrolidines.

CAS Number24880-43-1
PubChem CID394162
IUPAC Name(3aS,7aS)-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-/m0/s1
InChIKey
DAHIQPJTGIHDGO-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of Mesembrine
CAS: 24880-43-1
CID: 394162
Formula: C17H23NO3
MW: 289.4
Interactive 3D Structure
Loading 3D structure...
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

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