Desoxycarbadox-d3

CAT: 0804-HY-136428S-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-136428S-01Size:1 mg

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Description

Desoxycarbadox-d3 is the deuterium labeled Desoxycarbadox. Desoxycarbadox is a metabolite of Carbadox. Carbadox is a quinoxaline-di-N-oxide antibiotic compound.

CAS Number

1448350-02-4

UNSPSC

12352005

Hazard Statement

H228-H302-H350

Target

Isotope-Labeled Compounds

Type

Isotope-Labeled Compounds

Related Pathways

Others

Applications

Cancer-programmed cell death

Field of Research

Cancer

Purity

99.78

Solubility

10 mM in DMSO

Smiles

O=C(N/N=C/C1=NC2=CC=CC=C2N=C1)OC([2H])([2H])[2H]

Molecular Formula

C11H7D3N4O2

Molecular Weight

233.24

Precautions

P210-P240-P241-P264-P270-P280-P330-P370+P378-P405-P501

References & Citations

[1]Looft T, et al. Carbadox has both temporary and lasting effects on the swine gut microbiota. Front Microbiol. 2014;5:276. Published 2014 Jun 10.|[2]MacIntosh AI, et al. Liquid chromatographic monitoring of the depletion of carbadox and its metabolite desoxycarbadox in swine tissues. J Assoc Off Anal Chem. 1985;68 (4) :665-671.|[3]Zhang K, et al. Investigation of quinocetone-induced mitochondrial damage and apoptosis in HepG2 cells and compared with its metabolites. Environ Toxicol Pharmacol. 2015;39 (2) :555-567.|[4]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture and light)

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

Desoxycarbadox-D3

CAS Number	1448350-02-4
PubChem CID	117065205
IUPAC Name	trideuteriomethyl N-[(E)-quinoxalin-2-ylmethylideneamino]carbamate
Molecular Formula	C11H10N4O2
Molecular Weight	233.24
XLogP	1.2
Topological Polar Surface Area	76.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	295

SMILES

[2H]C([2H])([2H])OC(=O)N/N=C/C1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C11H10N4O2/c1-17-11(16)15-13-7-8-6-12-9-4-2-3-5-10(9)14-8/h2-7H,1H3,(H,15,16)/b13-7+/i1D3

InChIKey

SOEMFPLGOUBPJQ-QQAPZFQVSA-N

Chemical Structure

2D Structure

CAS: 1448350-02-4

CID: 117065205

Formula: C11H10N4O2

MW: 233.24

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	233.24
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	233.09920581
Monoisotopic Mass	233.09920581
Topological Polar Surface Area	76.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	295
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-D296997-1MG	Desoxycarbadox-D3
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TRC-V676233-1MG	Vitamin D3-d3
RM-V307743-01	Vitamin D3-[D3]
CS-O-40039	Thiamphenicol-d3 (methyl-d3)
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Desoxycarbadox-d3

Chemical Information

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