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Picrotin

CAT: 0013-GTR19203260-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19203260-02Size:1 ml x 10 mM (in DMSO)
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Description
Picrotin
CAS Number
21416-53-5
Product Name Alternative
Glycine receptor, Chloridechannel, Chloride channel, Picrotin, α1 GlyR, α2 GlyR, α3 GlyR
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.11% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (10.63 mM) ; DMSO:90 mg/mL (290.04 mM)
Smiles
[H][C@@]12OC (=O) [C@@] ([H]) ([C@]1 ([H]) C (C) (C) O) [C@]1 (O) C[C@H]3O[C@]33C (=O) O[C@@]2 ([H]) [C@]13C
Molecular Formula
C15H18O7
Molecular Weight
310.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Picrotin

Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is a picrotoxane sesquiterpenoid, a diol, a tertiary alcohol, an epoxide, a gamma-lactone and an organic heteropentacyclic compound. It is functionally related to a picrotoxinin.

CAS Number21416-53-5
PubChem CID442291
IUPAC Name(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Molecular FormulaC15H18O7
Molecular Weight310.30
XLogP-0.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity644
SMILES
C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
InChI
InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1
InChIKey
RYEFFICCPKWYML-QCGISDTRSA-N
Chemical Structure
2D Structure
2D structure of Picrotin
CAS: 21416-53-5
CID: 442291
Formula: C15H18O7
MW: 310.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.30
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass310.10525291
Monoisotopic Mass310.10525291
Topological Polar Surface Area106 Ų
Heavy Atom Count22
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
592179Picrotin
HY-107782RPicrotin (Standard)
TRC-P437630-1GPicrotoxin (1:1 Mixture of Picrotoxinin and Picrotin)

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