chempirical

Trospium chloride

C25H30ClNO3CAS 10405-02-4427.97 g/mol

Open in Covalent MOL file
OON+OHCl−
AlcoholEsterQuaternary ammonium

Properties

Molecular formula
C25H30ClNO3
Molar mass
427.97 g/mol
Exact mass
427.1914 Da
Melting point
255–257 °C
logP
0.77Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
r, R, Sin SMILES atom order

Identifiers

CAS number
10405-02-4
SMILES
O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
RVCSYOQWLPPAOA-QKYUOBHYNA-M
InChI
InChI=1/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23+;

Weigh it out

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

Names and synonyms

16 names · show all
  • Spiro[8-azoniabicyclo[3.2.1]octane-8,1′-pyrrolidinium], 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-, chloride (1:1), (1α,3β,5α)-
  • Spiro[1αH,5αH-nortropane-8,1′-pyrrolidinium], 3α-hydroxy-, chloride, benzilate
  • Spiro[8-azoniabicyclo[3.2.1]octane-8,1′-pyrrolidinium], 3-[(hydroxydiphenylacetyl)oxy]-, chloride, (1α,3β,5α)-
  • Benzilic acid, ester with 3α-hydroxyspiro[1αH,5αH-nortropane-8,1′-pyrrolidinium] chloride
  • Azoniaspiro(3α-benziloyloxynortropane-8,1′-pyrrolidine) chloride
  • Azoniaspiro compound XVII
  • As XVII
  • Keptan
  • Spasmex
  • Spasmo 3
  • Spasmo-lyt
  • Relaspium
  • Sanctura
  • Sanctura XR
  • Trozyd
  • TAR 302-5018

Work with Trospium 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

Flutropium bromide63516-07-460 % similar Clidinium bromide3485-62-947 % similar Ethyl benzilate52182-15-743 % similar Methyl benzilate76-89-143 % similar Benactyzine hydrochloride57-37-441 % similar Diethylaminoethyl diphenylglycolate methobromide3166-62-940 % similar Erythro-glycopyrronium bromide51186-83-538 % similar Glycopyrrolate596-51-038 % similar

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

Elsewhere

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