chempirical

Solifenacin

C23H26N2O2CAS 242478-37-1362.47 g/mol

Open in Covalent MOL file
OONN
CarbamateTertiary amine

Properties

Molecular formula
C23H26N2O2
Molar mass
362.47 g/mol
Exact mass
362.1994 Da
logP
3.86Crippen estimate
Polar surface area
32.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
242478-37-1
SMILES
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
InChIKey
FBOUYBDGKBSUES-VXKWHMMOSA-N
InChI
InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • (R)-Quinuclidin-3-yl) (S)-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
  • (+)-Solifenacin
  • 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester, (1S)-
  • YM 905
  • Soliten

Work with Solifenacin

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

Solifenacin succinate242478-38-285 % similar 2-Benzoyl-1,2,3,6,7,11B-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one54761-87-439 % similar Aceclidine827-61-239 % similar Praziquantel55268-74-135 % similar Palonosetron135729-61-233 % similar Nefopam13669-70-032 % similar Palonosetron hydrochloride135729-62-332 % similar (±)-Nefopam hydrochloride23327-57-331 % similar

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

Elsewhere

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