chempirical

Bethanechol chloride

C7H17ClN2O2CAS 590-63-6196.67 g/mol

Open in Covalent MOL file
N+ONHO−HCl
Quaternary ammonium

Properties

Molecular formula
C7H17ClN2O2
Molar mass
196.67 g/mol
Exact mass
196.0979 Da
Melting point
218–219 °C (decomposes)
logP
-0.19Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
590-63-6
SMILES
CC(C[N+](C)(C)C)OC(=N)[O-].Cl
InChIKey
XXRMYXBSBOVVBH-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all
  • 1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1)
  • (2-Hydroxypropyl)trimethylammonium chloride carbamate
  • Ammonium, (2-hydroxypropyl)trimethyl-, chloride, carbamate
  • 1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride
  • Carbamylmethylcholine chloride
  • Mechothane
  • β-Methylcholine chloride urethan
  • Urecholine
  • Urecholine chloride
  • Mechotane
  • Myocholine
  • Mictone
  • Myotonine chloride
  • Uro-carb
  • β-Methyl carbachol chloride
  • Trimethyl(2-carbamoyloxypropyl)ammonium chloride
  • Mecothane
  • Besacholine
  • (±)-Bethanechol
  • Myotonachol
  • NSC 30783
  • 1-(Trimethylazaniumyl)propan-2-yl carbamate chloride

Work with Bethanechol chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carbachol51-83-249 % similar (±)-Acetylcarnitine chloride2504-11-238 % similar Acetyl L-carnitine hydrochloride5080-50-238 % similar Dromos119793-66-735 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-435 % similar Carnitine chloride461-05-235 % similar L-(-)-Carnitine hydrochloride6645-46-135 % similar Betaine chloride590-46-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-Lysine, N6-methyl-, hydrochloride (1:1)7622-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook