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Paecilomide

CAT: 0013-GTR19220404-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220404-02Size:50 mg
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Description
Paecilomide is a pyridone alkaloid that acts as an acetylcholinesterase inhibitor. This small molecule is utilized in biochemical research, particularly for in vitro enzyme inhibition studies and investigations related to cholinergic signaling pathways.
CAS Number
1538575-22-2
Field of Research
Neuroscience
Smiles
C (O) (=O) [C@@H]1[C@H] (CCCC1) C=2C (O) =CC (=O) NC2
Molecular Formula
C12H15NO4
Molecular Weight
237.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Paecilomide
CAS Number1538575-22-2
PubChem CID162642187
IUPAC Nametrans-(1S,2S)-2-(4-hydroxy-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxylic acid
Molecular FormulaC12H15NO4
Molecular Weight237.25
XLogP0.5
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity411
SMILES
C1CC[C@@H]([C@H](C1)C2=CNC(=O)C=C2O)C(=O)O
InChI
InChI=1S/C12H15NO4/c14-10-5-11(15)13-6-9(10)7-3-1-2-4-8(7)12(16)17/h5-8H,1-4H2,(H,16,17)(H2,13,14,15)/t7-,8-/m0/s1
InChIKey
NIEWBDAIEROLFK-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of Paecilomide
CAS: 1538575-22-2
CID: 162642187
Formula: C12H15NO4
MW: 237.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.25
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass237.10010796
Monoisotopic Mass237.10010796
Topological Polar Surface Area86.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T75455-01Paecilomide

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