chempirical

Oxfendazole

C15H13N3O3SCAS 53716-50-0315.35 g/mol

Open in Covalent MOL file
OONHNSONH
Sulfoxide

Properties

Molecular formula
C15H13N3O3S
Molar mass
315.35 g/mol
Exact mass
315.0678 Da
Melting point
253 °C (decomposes)
logP
2.92Crippen estimate
Polar surface area
87.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
53716-50-0
SMILES
COC(O)=Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1
InChIKey
BEZZFPOZAYTVHN-UHFFFAOYSA-N
InChI
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)

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Names and synonyms

12 names
  • Carbamic acid, N-[6-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester
  • Carbamic acid, [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester
  • HOE 8105
  • Systamex
  • Methyl (5-benzenesulfinyl-2-benzimidazolyl)carbamate
  • Fenbendazole sulfoxide
  • (±)-Fenbendazole sulfoxide
  • Oxphendazole
  • Oxfenbendazole
  • Synanthic
  • Methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate
  • (5-Phenylsulfinyl-1H-benzimidazol-2-yl)carbamic acid methyl ester

Work with Oxfendazole

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

Fenbendazole43210-67-966 % similar (±)-Albendazole sulfoxide54029-12-864 % similar Mebendazole31431-39-764 % similar Carbendazim10605-21-763 % similar Parbendazole14255-87-956 % similar Albendazole54965-21-855 % similar Oxibendazole20559-55-153 % similar Flubendazole31430-15-653 % similar

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

Elsewhere

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