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Koumine

CAT: 0013-GTR19168914-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168914-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Koumine is a research compound with potential therapeutic applications in diabetic neuropathy, breast cancer, and pain management. Its analgesic effects in rodent models are linked to increased spinal allopregnanolone, while in vitro studies suggest antineoplastic activity.
CAS Number
1358-76-5
Product Name Alternative
Koumine, inhibit, Inhibitor
Field of Research
Cell Biology
Purity
98.00% (May vary between batches)
Solubility
DMSO:14.00 mg/mL (45.69 mM) ; Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.:Soluble;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.00 mg/mL (6.53 mM)
Smiles
[H][C@]12C[C@]3 ([H]) [C@] ([H]) (CO1) [C@]1 ([H]) C[C@]4 (C2=Nc2ccccc42) [C@]3 (CN1C) C=C
Molecular Formula
C20H22N2O
Molecular Weight
306.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Koumine

structure in first source

CAS Number1358-76-5
PubChem CID44583834
IUPAC Name(1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
Molecular FormulaC20H22N2O
Molecular Weight306.4
XLogP2.5
Topological Polar Surface Area24.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity615
SMILES
CN1C[C@]2([C@@H]3C[C@H]4C5=NC6=CC=CC=C6[C@@]52C[C@H]1[C@H]3CO4)C=C
InChI
InChI=1S/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17-,19-,20-/m0/s1
InChIKey
VTLYEMHGPMGUOT-XMHJOAAQSA-N
Chemical Structure
2D Structure
2D structure of Koumine
CAS: 1358-76-5
CID: 44583834
Formula: C20H22N2O
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass306.173213330
Monoisotopic Mass306.173213330
Topological Polar Surface Area24.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19243059-01Koumidine
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Alternative Products

CatalogName
HY-N1440-01Koumine
HY-N1440RKoumine (Standard)
TN4396Koumine N-oxide

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