Bethanechol chloride 500mg

CAT: 0628-A10180-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A10180-500Size:500 mg

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CAS Number

590-63-6

Chemical Information

Bethanechol Chloride

Bethanechol chloride is the chloride salt of bethanechol. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention. It has a role as a muscarinic agonist. It is a carbamate ester, a chloride salt and a quaternary ammonium salt. It contains a bethanechol.

CAS Number	590-63-6
PubChem CID	11548
IUPAC Name	2-carbamoyloxypropyl(trimethyl)azanium chloride
Molecular Formula	C7H17ClN2O2
Molecular Weight	196.67
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	140

SMILES

CC(C[N+](C)(C)C)OC(=O)N.[Cl-]

InChI

InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H

InChIKey

XXRMYXBSBOVVBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 590-63-6

CID: 11548

Formula: C7H17ClN2O2

MW: 196.67

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	196.67
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	196.0978555
Monoisotopic Mass	196.0978555
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
315283	Bethanechol Chloride
HY-B0406A-01	Bethanechol (chloride)

Bethanechol chloride 500mg

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