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Deanol pidolate

CAT: 0013-GTR19223619-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223619-01Size:100 mg
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Description
Deanol pidolate (dimethylaminoethanol picolinate) is a biochemical compound used in research to study cholinergic neurotransmission. It serves as a precursor to acetylcholine and is applied in both in vitro and in vivo models investigating cognitive function and cellular metabolism.
CAS Number
23513-72-6
Field of Research
Pharmacology & Drug Discovery
Smiles
C (O) (=O) [C@H]1NC (=O) CC1.C (N (C) C) CO
Molecular Formula
C9H18N2O4
Molecular Weight
218.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deanol pidolate
CAS Number23513-72-6
PubChem CID71777631
IUPAC Name2-(dimethylamino)ethanol;(2S)-5-oxopyrrolidine-2-carboxylic acid
Molecular FormulaC9H18N2O4
Molecular Weight218.25
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity183
SMILES
CN(C)CCO.C1CC(=O)N[C@@H]1C(=O)O
InChI
InChI=1S/C5H7NO3.C4H11NO/c7-4-2-1-3(6-4)5(8)9;1-5(2)3-4-6/h3H,1-2H2,(H,6,7)(H,8,9);6H,3-4H2,1-2H3/t3-;/m0./s1
InChIKey
DAEHWWVKPWBXGD-DFWYDOINSA-N
Chemical Structure
2D Structure
2D structure of Deanol pidolate
CAS: 23513-72-6
CID: 71777631
Formula: C9H18N2O4
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.25
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass218.12665706
Monoisotopic Mass218.12665706
Topological Polar Surface Area89.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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