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13-Methylberberine chloride

CAT: 0013-GTR19165443-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165443-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
13-Methylberberine chloride
CAS Number
54260-72-9
Product Name Alternative
AMPK, Akt, 13Methylberberine chloride, 13-Methylberberine Chloride, 13-Methylberberinium, 13 Methylberberine chloride, PPAR
Field of Research
Immunology & Inflammation
Purity
98.88% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.59 mM) ; DMSO:10 mg/mL (25.92 mM)
Smiles
[Cl-].COc1ccc2c (C) c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Molecular Formula
C21H20ClNO4
Molecular Weight
385.84
Storage Conditions
Keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

13-Methylberberine chloride
CAS Number54260-72-9
PubChem CID148670
IUPAC Name16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
Molecular FormulaC21H20ClNO4
Molecular Weight385.8
Topological Polar Surface Area40.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity516
SMILES
CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC5=C(C=C4CC3)OCO5)OC)OC.[Cl-]
InChI
InChI=1S/C21H20NO4.ClH/c1-12-14-4-5-17(23-2)21(24-3)16(14)10-22-7-6-13-8-18-19(26-11-25-18)9-15(13)20(12)22;/h4-5,8-10H,6-7,11H2,1-3H3;1H/q+1;/p-1
InChIKey
MLEFNGNLISNJEQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 13-Methylberberine chloride
CAS: 54260-72-9
CID: 148670
Formula: C21H20ClNO4
MW: 385.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass385.1080858
Monoisotopic Mass385.1080858
Topological Polar Surface Area40.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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