chempirical

Racecadotril

C21H23NO4SCAS 81110-73-8385.48 g/mol

Open in Covalent MOL file
OSONHOO
EsterSulfide

Properties

Molecular formula
C21H23NO4S
Molar mass
385.48 g/mol
Exact mass
385.1348 Da
Melting point
89 °C
logP
3.82Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
9

Identifiers

CAS number
81110-73-8
SMILES
CC(=O)SCC(Cc1ccccc1)C(O)=NCC(=O)OCc1ccccc1
InChIKey
ODUOJXZPIYUATO-UHFFFAOYSA-N
InChI
InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)

Weigh it out

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

Names and synonyms

8 names
  • Glycine, N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester
  • Glycine, N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester, (±)-
  • Acetorphan
  • Tiorfan
  • Redotil
  • Cadotril
  • Zedott
  • Hidrasec

Work with Racecadotril

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

N-Benzyloxycarbonylglycine methyl ester1212-53-945 % similar Thiorphan76721-89-644 % similar 1-(2-Phenylacetyl)-L-prolylglycine ethy ester157115-85-041 % similar N-[(Phenylmethoxy)carbonyl]glycyl-L-phenylalanine1170-76-940 % similar 1-(Phenylmethyl) propanedioate40204-26-040 % similar Benzyl acetoacetate5396-89-440 % similar Carbobenzoxyglycine N-hydroxysuccinimide ester2899-60-740 % similar Benzyl propionate122-63-440 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook