Desoxycarbadox-D3

CAT: 0024-sc-500697Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-500697Size:1 mg

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CAS Number

1448350-02-4

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...

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

Catalog	Name
sc-500696	Desoxycarbadox
sc-229281	Sarcosine-d3 (methyl-d3)
sc-490896	Genfatinib-d3 (Imatinib-d3)
sc-472657	Thiamine-d3 Pyrophosphate Chloride (d3-Major)
sc-301973	Vitamin D3 (6,19,19-d3)
sc-460743	Meconin-d3
sc-217665	Aspartame-d3
sc-473953	Sinensetin-d3
sc-218220B	Digoxin-d3
sc-498560	Equilenin-d3

Catalog	Name
TRC-D296997-1MG	Desoxycarbadox-D3
446391-01	Desoxycarbadox
TRC-D296999-100MG	1-Desoxycarbadox
RG-A263255-01	4-Desoxycarbadox
HY-136428R	Desoxycarbadox (Standard)
RG-A263256-01	N, N'-Desoxycarbadox
A5050-01	Azithromycin-d3 (CP-62993-d3, XZ-450-d3, Azitrocin-d3, Ribotrex-d3, Sumamed-d3, Trozocina-d3, Zithromaz-d3, Zitromax-d3)
TRC-V676233-1MG	Vitamin D3-d3
RM-V307743-01	Vitamin D3-[D3]
CS-O-40039	Thiamphenicol-d3 (methyl-d3)