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O-Benzoylhydroxylamine

CAT: 0804-HY-156846Size: 1 EachDry Ice: NoHazardous: No
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Description
O-Benzoyl hydroxylamine is a DPP-IV inhibitor with anti-diabetic effects (WO2006034435A2) [1].
CAS Number
54495-98-6
UNSPSC
12352005
Target
Dipeptidyl Peptidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/o-benzoylhydroxylamine.html
Solubility
10 mM in DMSO
Smiles
NOC(C1=CC=CC=C1)=O
Molecular Formula
C7H7NO2
Molecular Weight
137.14
References & Citations
[1]Nazneen Aziz, et al. Methods and compositions for treating glucose-associated conditions, metabolic syndrome, dyslipidemias and other conditions. WO2006034435A2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

O-Benzoylhydroxylamine

oxidizing agent

CAS Number54495-98-6
PubChem CID191324
IUPAC Nameamino benzoate
Molecular FormulaC7H7NO2
Molecular Weight137.14
XLogP1.4
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity119
SMILES
C1=CC=C(C=C1)C(=O)ON
InChI
InChI=1S/C7H7NO2/c8-10-7(9)6-4-2-1-3-5-6/h1-5H,8H2
InChIKey
XXXHSQBVHSJQKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Benzoylhydroxylamine
CAS: 54495-98-6
CID: 191324
Formula: C7H7NO2
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass137.047678466
Monoisotopic Mass137.047678466
Topological Polar Surface Area52.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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