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Mepenzolate Bromide

CAT: 1410-M15910-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M15910-01Size:100 mg
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Description
Mepenzolate Bromide is a muscarinic antagonist used to treat gastrointestinal disorders, decreases the severity of elastase-induced airspace enlargement and respiratory dysfunction.
CAS Number
76-90-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
420.34
Molecular Formula
C21H26BrNO3
Notes
Research use only, not for human use.
Receptor
MAChR

Chemical Information

Mepenzolate Bromide

Mepenzolate bromide is a diarylmethane.

CAS Number76-90-4
PubChem CID6461
IUPAC Name(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Molecular FormulaC21H26BrNO3
Molecular Weight420.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity432
SMILES
C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]
InChI
InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1
InChIKey
JRRNZNSGDSFFIR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Mepenzolate Bromide
CAS: 76-90-4
CID: 6461
Formula: C21H26BrNO3
MW: 420.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight420.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass419.10961
Monoisotopic Mass419.10961
Topological Polar Surface Area46.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes