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Dauricine

CAT: 1410-M18724-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M18724-05Size:50 mg
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Description
Dauricine has pulmonary toxicity, can produce pulmonary injury in CD-1 mice by the metabolism of Dauricine mediated by CYP3A.
CAS Number
524-17-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
624.77
Molecular Formula
C38H44N2O6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Dauricine

Dauricine is a bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter). It has a role as a plant metabolite. It is a bisbenzylisoquinoline alkaloid, a member of isoquinolines, a member of phenols, an aromatic ether and a tertiary amino compound.

CAS Number524-17-4
PubChem CID73400
IUPAC Name4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
Molecular FormulaC38H44N2O6
Molecular Weight624.8
XLogP6.7
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity933
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)OC)O)OC)OC
InChI
InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey
AQASRZOCERRGBL-ROJLCIKYSA-N
Chemical Structure
2D Structure
2D structure of Dauricine
CAS: 524-17-4
CID: 73400
Formula: C38H44N2O6
MW: 624.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.8
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass624.31993713
Monoisotopic Mass624.31993713
Topological Polar Surface Area72.9 Ų
Heavy Atom Count46
Formal Charge0
Complexity933
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

Related Products

CatalogName
M39699-01Dauriciline
M38106Dauricumine

Alternative Products

CatalogName
T6S0119-01Dauricine
A14718-50Dauricine 50mg
A14718-25Dauricine 25mg
A14718-10Dauricine 10mg
HY-N0220RDauricine (Standard)
A14718-500Dauricine 500mg
A14718-100Dauricine 100mg

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