Metabolite Desacetyl-nitazoxanide

Name

Desacetyl-nitazoxanide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

15KFG88UOJ

CAS number

Not Available

Weight

Average: 265.245
Monoisotopic: 265.015726417

Chemical Formula

C₁₀H₇N₃O₄S

InChI Key

FDTZUTSGGSRHQF-UHFFFAOYSA-N

InChI

InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)

IUPAC Name

2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide

SMILES

OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00di-9510000000-cfabe33d6048d7a80d4a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	162.2506572	predicted	DarkChem Lite v0.1.0
[M-H]-	162.2009572	predicted	DarkChem Lite v0.1.0
[M-H]-	146.0559	predicted	DeepCCS 1.0 (2019)
[M+H]+	161.5030572	predicted	DarkChem Lite v0.1.0
[M+H]+	161.4616572	predicted	DarkChem Lite v0.1.0
[M+H]+	149.31596	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.3301572	predicted	DarkChem Lite v0.1.0
[M+Na]+	161.5439572	predicted	DarkChem Lite v0.1.0
[M+Na]+	157.5728	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties