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Dauriciline

CAT: 1410-M39699-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M39699-02Size:25 mg
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Description
Guattegaumerine is a bisbenzylisoquinoline alkaloid with antimitotic, cytotoxic and neuroprotective activities.
CAS Number
21446-35-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
596.724
Molecular Formula
C36H40N2O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

(1R)-1,2,3,4-Tetrahydro-1-((4-(2-hydroxy-5-(((1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol

Guattegaumerine is an aromatic ether resulting from oxidative dimerisation between the 4-hydroxy group of one molecule of (1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol and the 3-position of the 4-hydroxybenzyl group of another. It is a bisbenzylisoquinoline alkaloid, a member of phenols, an aromatic ether and a tertiary amino compound. It is functionally related to a dauricine.

CAS Number21446-35-5
PubChem CID159911
IUPAC Name(1R)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Molecular FormulaC36H40N2O6
Molecular Weight596.7
XLogP6
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity902
SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC
InChI
InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey
FDABVSXGAMFQQH-LOYHVIPDSA-N
Chemical Structure
2D Structure
2D structure of (1R)-1,2,3,4-Tetrahydro-1-((4-(2-hydroxy-5-(((1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol
CAS: 21446-35-5
CID: 159911
Formula: C36H40N2O6
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP36
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass596.28863700
Monoisotopic Mass596.28863700
Topological Polar Surface Area94.9 Ų
Heavy Atom Count44
Formal Charge0
Complexity902
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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