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Magnoflorine chloride

CAT: 1568-C14035-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C14035-1mgSize:1 mg
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CAS Number
6681-18-1
Synonyms
Escholine chloride, Thalictrine chloride, Corytuberine methochloride
Target
Others
Applications
Others
Smiles
C[N+]1 (CCC2=CC (=C (C3=C2C1CC4=C3C (=C (C=C4) OC) O) O) OC) C.[Cl-]
Molecular Formula
C20H24ClNO4
Additionnal Information
Magnoflorine (Escholine, Thalictrine, Corytuberine methochloride), isolated from the rhizome of Sinomenium acutum and from Pachygone ovata, is usually used as an anxiolytic chemical with anti-oxidant, α-tyrosinase inhibitory and anti-inflammationary activities.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Magnoflorine, chloride

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CAS Number6681-18-1
PubChem CID23149
IUPAC Name(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol chloride
Molecular FormulaC20H24ClNO4
Molecular Weight377.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity498
SMILES
C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-]
InChI
InChI=1S/C20H23NO4.ClH/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);1H/t13-;/m0./s1
InChIKey
STVJLBTYWBXDBP-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of Magnoflorine, chloride
CAS: 6681-18-1
CID: 23149
Formula: C20H24ClNO4
MW: 377.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass377.1393859
Monoisotopic Mass377.1393859
Topological Polar Surface Area58.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T4S1321-01(+) -Magnoflorine chloride
MBS3608967-01Magnoflorine chloride
HY-N0535-01(+) -Magnoflorine (chloride)
HY-N0535R-01(+) -Magnoflorine (chloride) (Standard)
N2860-10(+) -Magnoflorine
TB0607Magnoflorine

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