chempirical

Aclatonium napadisilate

C20H26NO10S2−CAS 55077-30-0504.55 g/mol

Open in Covalent MOL file
OOOON+OSOO−SOOO−
EsterQuaternary ammoniumSulfonic acid

Properties

Molecular formula
C20H26NO10S2−
Molar mass
504.55 g/mol
Exact mass
504.0998 Da
Melting point
189–191 °C
logP
0.84Crippen estimate
Polar surface area
167.0 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
7

Identifiers

CAS number
55077-30-0
SMILES
CC(=O)OC(C)C(=O)OCC[N+](C)(C)C.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12
InChIKey
HDVYNNVLAIXSFI-UHFFFAOYSA-L
InChI
InChI=1S/C10H20NO4.C10H8O6S2/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h8H,6-7H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)/q+1;/p-2

Weigh it out

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

Names and synonyms

5 names
  • Ethanaminium, 2-[2-(acetyloxy)-1-oxopropoxy]-N,N,N-trimethyl-, 1,5-naphthalenedisulfonate (2:1)
  • 1,5-Naphthalenedisulfonic acid, ion(2-), bis[2-[2-(acetyloxy)-1-oxopropoxy]-N,N,N-trimethylethanaminium]
  • TM 723
  • Abovis
  • Aclatonium napadisylate

Work with Aclatonium napadisilate

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

Disodium 1,5-naphthalenedisulfonate1655-29-438 % similar Acetylcholine perchlorate927-86-635 % similar Acetylcholine iodide2260-50-635 % similar Acetylcholine chloride60-31-135 % similar Acetylcholine bromide66-23-935 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-234 % similar Sodium 1-naphthalenesulfonate130-14-333 % similar Benzoylcholine iodide17518-43-332 % similar

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

Elsewhere

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