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Methamilane maleate

CAT: 0013-GTR19210233-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210233-01Size:25 mg
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Description
Methacholine maleate is a selective muscarinic receptor agonist. It is widely used in pharmacological research to study cholinergic signaling, bronchial responsiveness in asthma models, and muscarinic receptor function in both in vitro and in vivo experimental systems.
CAS Number
22199-72-0
Smiles
OC (=O) \C=C/C (O) =O.CC1OCC (CN (C) C) O1
Molecular Formula
C11H19NO6
Molecular Weight
261.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methamilane maleate
CAS Number22199-72-0
PubChem CID6433801
IUPAC Name(Z)-but-2-enedioic acid;N,N-dimethyl-1-(2-methyl-1,3-dioxolan-4-yl)methanamine
Molecular FormulaC11H19NO6
Molecular Weight261.27
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity225
SMILES
CC1OCC(O1)CN(C)C.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C7H15NO2.C4H4O4/c1-6-9-5-7(10-6)4-8(2)3;5-3(6)1-2-4(7)8/h6-7H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
SEWQLWXCSBFFEF-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of Methamilane maleate
CAS: 22199-72-0
CID: 6433801
Formula: C11H19NO6
MW: 261.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight261.27
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass261.12123733
Monoisotopic Mass261.12123733
Topological Polar Surface Area96.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes