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Emepronium bromide

CAT: 0013-GTR19211523-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211523-03Size:100 mg
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Description
Emepronium bromide is a muscarinic antagonist used as a urological antispasmodic in research. It is poorly absorbed orally and does not cross the blood-brain barrier, making it useful for studying peripheral cholinergic effects in vitro and in vivo models of urinary tract function.
CAS Number
3614-30-0
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CC ([N+] (CC) (C) C) C) (C1=CC=CC=C1) C2=CC=CC=C2.[Br-]
Molecular Formula
C20H28BrN
Molecular Weight
362.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Emepronium Bromide

See also: Emepronium (has active moiety).

CAS Number3614-30-0
PubChem CID71820
IUPAC Name4,4-diphenylbutan-2-yl-ethyl-dimethylazanium bromide
Molecular FormulaC20H28BrN
Molecular Weight362.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity266
SMILES
CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]
InChI
InChI=1S/C20H28N.BrH/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H/q+1;/p-1
InChIKey
UVKFSMBPRQBNCH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Emepronium Bromide
CAS: 3614-30-0
CID: 71820
Formula: C20H28BrN
MW: 362.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass361.14051
Monoisotopic Mass361.14051
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity266
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

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