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Rotundine 500mg

CAT: 0628-A11998-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A11998-500Size:500 mg
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CAS Number
483-14-7

Chemical Information

(-)-Tetrahydropalmatine

Tetrahydropalmatine is a berberine alkaloid obtained by formal addition of two molecules of hydrogen to the pyridine ring of palmatine. It has a role as a non-narcotic analgesic, an adrenergic agent and a dopaminergic antagonist. It is an an (S)-7,8,13,14-tetrahydroprotoberberine, a berberine alkaloid and an organic heterotetracyclic compound. It is functionally related to a palmatine.

CAS Number483-14-7
PubChem CID72301
IUPAC Name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular FormulaC21H25NO4
Molecular Weight355.4
XLogP3.2
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity475
SMILES
COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
InChI
InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
InChIKey
AEQDJSLRWYMAQI-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (-)-Tetrahydropalmatine
CAS: 483-14-7
CID: 72301
Formula: C21H25NO4
MW: 355.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass355.17835828
Monoisotopic Mass355.17835828
Topological Polar Surface Area40.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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