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Phellodendrine 10mM * 1mL in DMSO

CAT: 0628-A14720-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No
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CAT#:0628-A14720-10mM-DSize:10 mM x 1mL in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6873-13-8

Chemical Information

Phellodendrine

Phellodendrine is an alkaloid.

CAS Number6873-13-8
PubChem CID3081405
IUPAC Name(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol
Molecular FormulaC20H24NO4+
Molecular Weight342.4
XLogP2.6
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge1
Complexity488
SMILES
C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC
InChI
InChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1
InChIKey
RBBVPNQTBKHOEQ-KKSFZXQISA-O
Chemical Structure
2D Structure
2D structure of Phellodendrine
CAS: 6873-13-8
CID: 3081405
Formula: C20H24NO4+
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass342.17053325
Monoisotopic Mass342.17053325
Topological Polar Surface Area58.9 Ų
Heavy Atom Count25
Formal Charge1
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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