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Oxymatrine 1g

CAT: 0628-A10685-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A10685-1000Size:1000 mg
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CAS Number
16837-52-8

Chemical Information

Oxymatrine

Oxymatrine is under investigation in clinical trial NCT02202473 (Oxymatrine Plus Lamivudine Combination Therapy Versus Lamivudine Monotherapy for Chronic Hepatitis B Infected Subjects).

CAS Number16837-52-8
PubChem CID24864132
IUPAC Name(1R,2R,9S,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Molecular FormulaC15H24N2O2
Molecular Weight264.36
XLogP1
Topological Polar Surface Area38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity400
SMILES
C1C[C@@H]2[C@H]3CCC[N@+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]
InChI
InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17+/m0/s1
InChIKey
XVPBINOPNYFXID-JARXUMMXSA-N
Chemical Structure
2D Structure
2D structure of Oxymatrine
CAS: 16837-52-8
CID: 24864132
Formula: C15H24N2O2
MW: 264.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.36
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass264.183778013
Monoisotopic Mass264.183778013
Topological Polar Surface Area38.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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