5-Hydroxymebendazole

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Systematic / IUPAC Name: Methyl {6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl}carbamate

ID: Reference4889

Other Names: 2-Benzimidazolecarbamic acid, 5-(α-hydroxybenzyl)-, methyl ester;
5-(α-Hydroxybenzyl)-2-benzimidazolecarbamic acid methyl ester;
Carbamic acid,(5-hydroxyphenylmethyl)-1H-benzimidazol-2-yl;
Methyl N-{6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl}carbamate

Formula: C16H15N3O3

Class: Endogenous Metabolites Therapeutics/Prescription Drugs

Spectral Data

5-Hydroxymebendazole 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
No. of Spectral Trees 2
No. of Spectra 225
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/20/2016 8:38:14 AM
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Identificators

InChI InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)
InChI Key IIQKUGXEGMZCLE-UHFFFAOYSA-N
Canonical SMILES COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=CC=C3)O
CAS 60254957
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Other Names 2-Benzimidazolecarbamic acid, 5-(α-hydroxybenzyl)-, methyl ester;
5-(α-Hydroxybenzyl)-2-benzimidazolecarbamic acid methyl ester;
Carbamic acid,(5-hydroxyphenylmethyl)-1H-benzimidazol-2-yl;
Methyl N-{6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl}carbamate

In Other Databases

PubChem 43242
ChemSpider 39410
ChemIDPlus 060254957
ChEMBL CHEMBL2059159