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Eucatropine Free Base

CAT: 0013-GTR19208824-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208824-02Size:50 mg
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Description
Eucatropine is a potent muscarinic acetylcholine receptor (mAChR) antagonist with an IC50 of 0.583 μM. This anticholinergic agent is a valuable research tool for studying parasympathetic nervous system function in both in vitro binding assays and in vivo pharmacological models.
CAS Number
100-91-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C (C (O) C1=CC=CC=C1) =O) C2CC (C) (C) N (C) C (C) C2
Molecular Formula
C17H25NO3
Molecular Weight
291.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Eucatropine

2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester is a member of piperidines.

CAS Number100-91-4
PubChem CID7534
IUPAC Name(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
Molecular FormulaC17H25NO3
Molecular Weight291.4
XLogP2.8
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O
InChI
InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3
InChIKey
QSAVEGSLJISCDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eucatropine
CAS: 100-91-4
CID: 7534
Formula: C17H25NO3
MW: 291.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass291.18344366
Monoisotopic Mass291.18344366
Topological Polar Surface Area49.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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