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Dicentrine

CAT: 0013-GTR19183544-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183544-03Size:10 mg
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Description
Dicentrine, the primary alkaloid from Ocotea puberula leaves, is an α1-adrenoceptor antagonist. Its activity, confirmed via [3H]prazosin binding and in vitro tension assays, supports research into benign prostatic hyperplasia (BPH) and related urological disorders.
CAS Number
517-66-8
Product Name Alternative
Dicentrine
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.99% (May vary between batches)
Solubility
DMSO:8 mg/mL (23.57 mM)
Smiles
CN1[C@@]2 (C=3C (C=4C (C2) =CC (OC) =C (OC) C4) =C5C (=CC3CC1) OCO5) [H]
Molecular Formula
C20H21NO4
Molecular Weight
339.39
Storage Conditions
Keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

(+)-Dicentrine

Dicentrine is an aporphine alkaloid.

CAS Number517-66-8
PubChem CID101300
IUPAC Name(12S)-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-/m0/s1
InChIKey
YJWBWQWUHVXPNC-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (+)-Dicentrine
CAS: 517-66-8
CID: 101300
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)
T69075-01Dicentrine HCl

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