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Sinomenine

CAT: 0926-FS09811-03Size: 2000 mgDry Ice: NoHazardous: No
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CAT#:0926-FS09811-03Size:2000 mg
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CAS Number
115-53-7
MDL Number
MFCD00134303
Smiles
CN1CC[C@@]23CC (=O) C (=C[C@@H]2[C@@H]1CC4=C3C (=C (C=C4) OC) O) OC
Molecular Formula
C19H23NO4
Molecular Weight
329.39 g/mol
Controlled
No

Chemical Information

Sinomenine

Sinomenine is a morphinane alkaloid.

CAS Number115-53-7
PubChem CID5459308
IUPAC Name(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Molecular FormulaC19H23NO4
Molecular Weight329.4
XLogP2.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity562
SMILES
CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI
InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
InChIKey
INYYVPJSBIVGPH-QHRIQVFBSA-N
Chemical Structure
2D Structure
2D structure of Sinomenine
CAS: 115-53-7
CID: 5459308
Formula: C19H23NO4
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass329.16270821
Monoisotopic Mass329.16270821
Topological Polar Surface Area59 Ų
Heavy Atom Count24
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
466138-01Sinomenine

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