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Coptisine Sulfate 25mg

CAT: 0628-A14719-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A14719-25Size:25 mg
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CAS Number
1198398-71-8

Chemical Information

Coptisine

Coptisine is a natural product found in Coptis japonica. It has a role as a metabolite.

CAS Number1198398-71-8
PubChem CID72322
IUPAC Name5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene
Molecular FormulaC19H14NO4+
Molecular Weight320.3
XLogP3.5
Topological Polar Surface Area40.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge1
Complexity502
SMILES
C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6
InChI
InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1
InChIKey
XYHOBCMEDLZUMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coptisine
CAS: 1198398-71-8
CID: 72322
Formula: C19H14NO4+
MW: 320.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight320.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass320.09228293
Monoisotopic Mass320.09228293
Topological Polar Surface Area40.8 Ų
Heavy Atom Count24
Formal Charge1
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes