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Deanol acetamidobenzoate

CAT: 0013-GTR19194787-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194787-01Size:25 mg
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Description
Deanol acetamidobenzoate is a central nervous system stimulant that elevates acetylcholine precursor levels. It has been investigated in preclinical research for movement disorders like chorea, utilizing both in vitro and in vivo experimental models to study its cholinergic mechanisms.
CAS Number
3635-74-3
Field of Research
Pharmacology & Drug Discovery
Smiles
CN (C) CCO.CC (=O) Nc1ccc (cc1) C (O) =O
Molecular Formula
C13H20N2O4
Molecular Weight
268.313
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deanol Acetamidobenzoate

CNS stimulant; structure

CAS Number3635-74-3
PubChem CID19265
IUPAC Name4-acetamidobenzoic acid;2-(dimethylamino)ethanol
Molecular FormulaC13H20N2O4
Molecular Weight268.31
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity236
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)O.CN(C)CCO
InChI
InChI=1S/C9H9NO3.C4H11NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2)3-4-6/h2-5H,1H3,(H,10,11)(H,12,13);6H,3-4H2,1-2H3
InChIKey
XTWZHJXJIIUEJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deanol Acetamidobenzoate
CAS: 3635-74-3
CID: 19265
Formula: C13H20N2O4
MW: 268.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass268.14230712
Monoisotopic Mass268.14230712
Topological Polar Surface Area89.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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