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Chelerythrine hydroxide

CAT: 0013-GTR19210714-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210714-03Size:100 mg
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Description
Chelerythrine hydroxide is the salt of a benzophenanthridine alkaloid that acts as a potent, cell-permeable protein kinase C inhibitor and a CB1 receptor antagonist. It serves as a key research tool in oncology and signal transduction studies, with demonstrated activity in both in vitro and in vivo cancer research models.
CAS Number
478-03-5
Smiles
C[N+]=1C=2C (C=3C (C1) =C (OC) C (OC) =CC3) =CC=C4C2C=C5C (=C4) OCO5.[OH-]
Molecular Formula
C21H19NO5
Molecular Weight
365.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide (1:1)
CAS Number478-03-5
PubChem CID5351594
IUPAC Name1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide
Molecular FormulaC21H19NO5
Molecular Weight365.4
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity516
SMILES
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-]
InChI
InChI=1S/C21H18NO4.H2O/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H2/q+1;/p-1
InChIKey
YZYNINHQZLUUAW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide (1:1)
CAS: 478-03-5
CID: 5351594
Formula: C21H19NO5
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass365.12632271
Monoisotopic Mass365.12632271
Topological Polar Surface Area41.8 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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