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Tetrahydropalmatine

CAT: 0862-GP8987-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GP8987-5gSize:5 g
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CAS Number
483-14-7
Purity
98.00%
Molecular Formula
C21H25NO4
Molecular Weight
355.43
Storage Conditions
+4°C
Hazardous Class
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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
Loading 3D structure...
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