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Carbachol

CAT: 1299-RM-C012100-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C012100-01Size:10 mg
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CAS Number
51-83-2
Synonyms
2- (carbamoyloxy) -N, N, N-trimethylethanaminium chloride
Molecular Formula
C6H15ClN2O2
Molecular Weight
182.65
Target Alternative Name
Carbachol
Product Name Synonym
2- (carbamoyloxy) -N, N, N-trimethylethanaminium chloride

Chemical Information

Carbachol

Carbachol is a carbamate ester and an ammonium salt. It has a role as a non-narcotic analgesic, a cardiotonic drug, a muscarinic agonist, a nicotinic acetylcholine receptor agonist and a miotic.

CAS Number51-83-2
PubChem CID5831
IUPAC Name2-carbamoyloxyethyl(trimethyl)azanium chloride
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity117
SMILES
C[N+](C)(C)CCOC(=O)N.[Cl-]
InChI
InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
InChIKey
AIXAANGOTKPUOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbachol
CAS: 51-83-2
CID: 5831
Formula: C6H15ClN2O2
MW: 182.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass182.0822054
Monoisotopic Mass182.0822054
Topological Polar Surface Area52.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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