Olaquindox-d4

CAT: 0024-sc-219479Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-219479Size:1 mg

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CAS Number

1189487-82-8

Chemical Information

Olaquindox-d4

CAS Number	1189487-82-8
PubChem CID	46782628
IUPAC Name	3-methyl-4-oxido-1-oxo-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)quinoxalin-1-ium-2-carboxamide
Molecular Formula	C12H13N3O4
Molecular Weight	267.27
XLogP	-0.2
Topological Polar Surface Area	95.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	421

SMILES

[2H]C([2H])(C([2H])([2H])O)NC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C

InChI

InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)/i6D2,7D2

InChIKey

TURHTASYUMWZCC-KXGHAPEVSA-N

Chemical Structure

2D Structure

CAS: 1189487-82-8

CID: 46782628

Formula: C12H13N3O4

MW: 267.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.27
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	267.11571289
Monoisotopic Mass	267.11571289
Topological Polar Surface Area	95.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	421
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-236250	Olaquindox
sc-300814	Hydroquinone-d4 (ring-d4)
sc-506150	Triclocarban-d4 (4-chlorophenyl-d4)
sc-280875	Keto Pioglitazone-d4 (M-III-d4)
sc-477791A	β-NADH-d4 (d4 major) Diammonium Salt
sc-477791	β-NADH-d4 (d4 major) Diammonium Salt
sc-219955	Rebamipide-d4
sc-480139	Apricoxib-d4
sc-473195	Tariquidar-d4
sc-220168	Sulfathiazole-d4

Catalog	Name
HY-N0465S	Olaquindox-d4
N2086-20	Olaquindox