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Glycopyrrolate 25mg

CAT: 0628-A12641-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12641-25Size:25 mg
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CAS Number
596-51-0

Chemical Information

Glycopyrrolate

Glycopyrronium bromide is a quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio. It is a quaternary ammonium salt and an organic bromide salt.

CAS Number596-51-0
PubChem CID11693
IUPAC Name(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
Molecular FormulaC19H28BrNO3
Molecular Weight398.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity424
SMILES
C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
InChI
InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
InChIKey
VPNYRYCIDCJBOM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Glycopyrrolate
CAS: 596-51-0
CID: 11693
Formula: C19H28BrNO3
MW: 398.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass397.12526
Monoisotopic Mass397.12526
Topological Polar Surface Area46.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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