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12-Epinapelline

CAT: 0013-GTR19160054-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160054-01Size:200 mg
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Description
12- Epinapelline is a diterpene alkaloid which displays anaesthetic activity as toxic neurological agents. Similar to aconitine, its suggested that modulation of voltage gated Na+ channels are responsible for these observations.
CAS Number
110064-71-6
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (278.16 mM)
Smiles
CCN1CC2 (CCC (C34C2CC (C31) C56C4CC (C (C5) C (=C) C6O) O) O) C
Molecular Formula
C22H33NO3
Molecular Weight
359.51
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

12-Epinapelline

12-Epinapelline is a kaurane diterpenoid.

CAS Number110064-71-6
PubChem CID3133561
IUPAC Name11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
Molecular FormulaC22H33NO3
Molecular Weight359.5
XLogP1.2
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity695
SMILES
CCN1CC2(CCC(C34C2CC(C31)C56C4CC(C(C5)C(=C)C6O)O)O)C
InChI
InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3
InChIKey
AZAZKLKDEOMJBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-Epinapelline
CAS: 110064-71-6
CID: 3133561
Formula: C22H33NO3
MW: 359.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass359.24604391
Monoisotopic Mass359.24604391
Topological Polar Surface Area63.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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