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Isocarboxazid (Standard)

CAT: 0804-HY-13929RSize: 1 EachDry Ice: NoHazardous: No
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Description
Isocarboxazid (Standard) is the analytical standard of Isocarboxazid. This product is intended for research and analytical applications. Isocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1].
CAS Number
59-63-2
UNSPSC
12352005
Target
Monoamine Oxidase; Reference Standards
Type
Reference Standards
Related Pathways
Neuronal Signaling; Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/isocarboxazid-standard.html
Smiles
O=C(C1=NOC(C)=C1)NNCC2=CC=CC=C2
Molecular Formula
C12H13N3O2
Molecular Weight
231.25
References & Citations
[1]MAXWELL DR, et al. Relative activity of some inhibitors of mono-amine oxidase in potentiating the action of tryptamine in vitro and in vivo. Br J Pharmacol Chemother. 1961 Dec;17:310-20.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Isocarboxazid

5-methyl-N'-(phenylmethyl)-3-isoxazolecarbohydrazide is a member of benzenes.

CAS Number59-63-2
PubChem CID3759
IUPAC NameN'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
Molecular FormulaC12H13N3O2
Molecular Weight231.25
XLogP1.5
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity254
SMILES
CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2
InChI
InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
InChIKey
XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isocarboxazid
CAS: 59-63-2
CID: 3759
Formula: C12H13N3O2
MW: 231.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.25
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass231.100776666
Monoisotopic Mass231.100776666
Topological Polar Surface Area67.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity254
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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