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Magnoflorine

CAT: 0862-GY6402-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0862-GY6402-10mgSize:10 mg
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CAS Number
2141-09-5
MDL Number
MFCD09031380
HS Code
2939799090
Purity
98.00%
Molecular Formula
C20H24NO4
Molecular Weight
342.41
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

(+)-Magnoflorine

(S)-magnoflorine is an aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group. It has a role as a plant metabolite. It is an aporphine alkaloid and a quaternary ammonium ion. It is functionally related to a (S)-corytuberine.

CAS Number2141-09-5
PubChem CID73337
IUPAC Name(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol
Molecular FormulaC20H24NO4+
Molecular Weight342.4
XLogP2.7
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge1
Complexity498
SMILES
C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
InChI
InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
InChIKey
YLRXAIKMLINXQY-ZDUSSCGKSA-O
Chemical Structure
2D Structure
2D structure of (+)-Magnoflorine
CAS: 2141-09-5
CID: 73337
Formula: C20H24NO4+
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass342.17053325
Monoisotopic Mass342.17053325
Topological Polar Surface Area58.9 Ų
Heavy Atom Count25
Formal Charge1
Complexity498
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
N2860-10(+) -Magnoflorine
TB0607Magnoflorine
N2851-5(+) -Magnoflorine iodide
AR-M03765-01Magnoflorine Iodide
C14035-1mgMagnoflorine chloride
T4S1321-01(+) -Magnoflorine chloride

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