chempirical

Atropine methyl nitrate

C18H26N2O6CAS 52-88-0366.41 g/mol

Open in Covalent MOL file
N+OOOHON+O−O−
AlcoholEsterNitroQuaternary ammonium

Properties

Molecular formula
C18H26N2O6
Molar mass
366.41 g/mol
Exact mass
366.1791 Da
Melting point
163 °C
logP
1.84Crippen estimate
Polar surface area
112.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4
Stereocentres
R, S, rin SMILES atom order

Identifiers

CAS number
52-88-0
SMILES
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]
InChIKey
NEDVJZNVOSNSHF-KUMOIWDRNA-N
InChI
InChI=1/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1/t14-,15+,16+,17?;

Weigh it out

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

Names and synonyms

20 names · show all
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-, nitrate (1:1)
  • 8-Methylatropinium nitrate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, endo-(±)-, nitrate (salt)
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-methyl-, nitrate, (±)-tropate (ester)
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-, nitrate (salt)
  • Atropine methonitrate
  • Ekomine
  • Eumydrin
  • Eumydrine
  • Harvatrate
  • Dl-Hyoscyamine methylnitrate
  • Metanite
  • Metropine
  • Methylatropine nitrate
  • N-Methylatropine nitrate
  • Eumidrina
  • Europen
  • Pylostropin
  • N-Methylatropinium nitrate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, endo-, nitrate (salt)

Work with Atropine methyl nitrate

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

Atropine methyl bromide2870-71-579 % similar Methscopolamine nitrate6106-46-375 % similar Ipratropium bromide22254-24-662 % similar Ipratropium bromide monohydrate66985-17-959 % similar (-)-Scopolamine methobromide155-41-958 % similar Homatropine methobromide80-49-957 % similar (-)-Atropine101-31-555 % similar (±)-Atropine51-55-855 % similar

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

Same formula

N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-1 N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine2480-93-5

Elsewhere

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