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Berberrubine

CAT: 1410-M18074-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M18074-06Size:50 mg
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Description
Berberrubine has antitumor activity. Berberrubine dose-dependently inhibits IL-8 and MCP-1 protein levels in the media and mRNA expression of the cells stimulated with IL-1beta or TNF-alpha.
CAS Number
15401-69-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
357.79
Molecular Formula
C19H16ClNO4
Notes
Research use only, not for human use.
Receptor
IL-8

Chemical Information

5,6-Dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride

Berberrubine is an alkaloid.

CAS Number15401-69-1
PubChem CID72703
IUPAC Name17-methoxy-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-octaen-16-ol chloride
Molecular FormulaC19H16ClNO4
Molecular Weight357.8
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-]
InChI
InChI=1S/C19H15NO4.ClH/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21;/h2-3,6-9H,4-5,10H2,1H3;1H
InChIKey
GYFSYEVKFOOLFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride
CAS: 15401-69-1
CID: 72703
Formula: C19H16ClNO4
MW: 357.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass357.0767857
Monoisotopic Mass357.0767857
Topological Polar Surface Area51.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
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

Alternative Products

CatalogName
TN8601-01Berberrubine
MBS387077-01Berberrubine chloride
HY-125850-01Berberrubine (chloride)
271311-01Dehydro berberrubine bromide
A12224-25Berberrubine chloride 25mg
HY-125850R-01Berberrubine (chloride) (Standard)

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