Albendazole sulfone

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Systematic / IUPAC Name: Methyl [5-(propylsulfonyl)-1H-benzimidazol-2-yl]carbamate

ID: Reference1562

Other Names: 2-Benzimidazolecarbamic acid, 5-(propylsulfonyl)-, methyl ester;
5-(Propylsulfonyl)-2-benzimidazolecarbamic acid methyl ester;
Carbamic acid [5-(propylsulfonyl)-1H-benzo[d]imidazol-2-yl] methyl ester

Formula: C12H15N3O4S

Class: Therapeutics/Prescription Drugs Pesticides/Herbicides

Spectral Data

Albendazole sulfone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 338
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/25/2016 11:33:53 AM
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Identificators

InChI InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChI Key CLSJYOLYMZNKJB-UHFFFAOYSA-N
Canonical SMILES CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
CAS 50594666
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Other Names 2-Benzimidazolecarbamic acid, 5-(propylsulfonyl)-, methyl ester;
5-(Propylsulfonyl)-2-benzimidazolecarbamic acid methyl ester;
Carbamic acid [5-(propylsulfonyl)-1H-benzo[d]imidazol-2-yl] methyl ester

In Other Databases

ChemSpider 48031
ChEMBL CHEMBL1779650
ChemIDPlus 075184713
HMDb HMDB60561
KEGG C16626
PubChem 53174