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Sanguinarine citrate

CAT: 0957-E8271-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E8271-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132210-34-5
Target
ROS
Applications
NF-κB
Molecular Formula
C20H14NO4.C6H11O7
Additionnal Information
Sanguinarine (gluconate) is a benzophenanthridine alkaloid derived from the root of Sanguinaria canadensis. It activates reactive oxygen species (ROS), c-Jun N-terminal kinase (JNK), and nuclear factor-kappaB (NF-κB) signaling pathways to induce apoptosis in head and neck tumor cells and animal models. It also exhibits potent anti-bacterial and anti-inflammatory activities.

Chemical Information

Sanguinarine (gluconate)
CAS Number132210-34-5
PubChem CID67908280
IUPAC Name24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Molecular FormulaC26H25NO11
Molecular Weight527.5
Topological Polar Surface Area182
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity695
SMILES
C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O
InChI
InChI=1S/C20H14NO4.C6H12O7/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;7-1-2(8)3(9)4(10)5(11)6(12)13/h2-8H,9-10H2,1H3;2-5,7-11H,1H2,(H,12,13)/q+1;/p-1/t;2-,3-,4+,5-/m.1/s1
InChIKey
LUQSYLIFPGNCMW-IFWQJVLJSA-M
Chemical Structure
2D Structure
2D structure of Sanguinarine (gluconate)
CAS: 132210-34-5
CID: 67908280
Formula: C26H25NO11
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass527.14276061
Monoisotopic Mass527.14276061
Topological Polar Surface Area182 Ų
Heavy Atom Count38
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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