chempirical

Bisacodyl

C22H19NO4CAS 603-50-9361.40 g/mol

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OOOON
Ester

Properties

Molecular formula
C22H19NO4
Molar mass
361.40 g/mol
Exact mass
361.1314 Da
Melting point
138 °C
logP
4.11Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
603-50-9
SMILES
CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1
InChIKey
KHOITXIGCFIULA-UHFFFAOYSA-N
InChI
InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3

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Names and synonyms

47 names · show all
  • Phenol, 4,4′-(2-pyridinylmethylene)bis-, 1,1′-diacetate
  • Phenol, 4,4′-(2-pyridylmethylene)di-, diacetate (ester)
  • Phenol, 4,4′-(2-pyridinylmethylene)bis-, diacetate (ester)
  • Phenol, 4,4′-(2-pyridylmethylene)di-, diacetate
  • Bis(p-acetoxyphenyl)-2-pyridylmethane
  • Dulcolan
  • Dulcolax
  • LA96a
  • Laxans
  • 4,4′-(2-Pyridylmethylene)diphenol diacetate
  • Pyrilax
  • Brocalax
  • Telemin
  • Nigalax
  • Laco
  • Laxadin
  • Laxorex
  • Durolax
  • Perilax
  • Hillcolax
  • Ivilax
  • Sanvacual
  • Neolax
  • Videx
  • Zetrax
  • Laxine
  • Fenilaxan
  • Bicol
  • Theralax
  • Godalax
  • Endokolat
  • Correctol caplets
  • Broxalax
  • Laxanin N
  • Contralax
  • Stadalax
  • Ulcol
  • Correctol tablets
  • Feen-a-mint tablets
  • SK-Bisacodyl
  • DAMP
  • Eulaxan
  • NSC 614826
  • Prepacol
  • Fleet
  • Alophen
  • (Pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate

Work with Bisacodyl

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

Sodium picosulfate10040-45-652 % similar Phenyl acetate122-79-251 % similar 4-Methylphenyl acetate140-39-645 % similar 2-Naphthyl acetate1523-11-144 % similar 3-Acetoxypyridine17747-43-244 % similar 4-Fluorophenyl acetate405-51-644 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-143 % similar 4-Ethylphenyl acetate3245-23-642 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook