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Matrine

CAT: 0926-FM65961-04Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-FM65961-04Size:5000 mg
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CAS Number
519-02-8
Synonyms
Ex Sophporae Radix
MDL Number
MFCD00210527
Smiles
C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H] (CCC4) CN2C (=O) C1
Molecular Formula
C15H24N2O
Molecular Weight
248.36 g/mol
Controlled
No

Chemical Information

Matrine

Matrine is an alkaloid.

CAS Number519-02-8
PubChem CID91466
IUPAC Name(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Molecular FormulaC15H24N2O
Molecular Weight248.36
XLogP1.6
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity356
SMILES
C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1
InChI
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1
InChIKey
ZSBXGIUJOOQZMP-JLNYLFASSA-N
Chemical Structure
2D Structure
2D structure of Matrine
CAS: 519-02-8
CID: 91466
Formula: C15H24N2O
MW: 248.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.36
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass248.188863393
Monoisotopic Mass248.188863393
Topological Polar Surface Area23.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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