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Dicentrine

CAT: 1410-M27239-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M27239-03Size:10 mg
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Description
Dicentrine, (-) - is an aporphinic alkaloid found in several plant species, which showed significant antinociceptive activity in an acute model of visceral pain in mice.
CAS Number
28832-07-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
339.391
Molecular Formula
C20H21NO4
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

(-)-Dicentrine

(-)-dicentrine has been reported in Dasymaschalon sootepense, Cissampelos capensis, and other organisms with data available.

CAS Number28832-07-7
PubChem CID317843
IUPAC Name(12R)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Molecular FormulaC20H21NO4
Molecular Weight339.4
XLogP3.2
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity502
SMILES
CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC(=C(C=C54)OC)OC)OCO3
InChI
InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1
InChIKey
YJWBWQWUHVXPNC-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of (-)-Dicentrine
CAS: 28832-07-7
CID: 317843
Formula: C20H21NO4
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass339.14705815
Monoisotopic Mass339.14705815
Topological Polar Surface Area40.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity502
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

Alternative Products

CatalogName
BA5135-1Dicentrine
T20225-01Dicentrine, (-) -
HY-N2105-01(-) -Dicentrine
597041Dicentrine, (-)-
FD21608-01L-Dicentrine
AB0731D-Dicentrine
HY-N6969ADicentrine (hydrochloride)
GTR19210854-01Dicentrine HCl

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