Oxfendazole

C₁₅H₁₃N₃O₃SCAS 53716-50-0315.35 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Danger

H319 Causes serious eye irritation50% of notifiers
H360 May damage fertility or the unborn child44.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure46.2% of notifiers
H400 Very toxic to aquatic life46.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects46.2% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264+P265, P273, P280, P305+P351+P338, P318, P319, P337+P317, P391, P405, P501

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)

Weigh it out

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

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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