CAS No.: 23696-28-8 — Olaquindox (喹乙醇)

1. Primary Information

English name:	Olaquindox
CAS No.:	23696-28-8
Molecular formula:	C₁₂H₁₃N₃O₄
Molecular weight:	263.25 g/mol
SMILES:	CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO
Structural class:
Other identifiers:	2-(N-2'-hydroxyethylcarbamoyl)-3-methylquinoxaline- di-N-oxide Bay VA 9391 Bayo-N-Ox bisergon olanquindox

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	240	Buy now	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 33 0 0 0 0 0 0 0999 V2000 0.2148 2.3734 0.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -2.9822 0.0117 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3176 0.7875 1.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 -0.9021 -1.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 1.1234 0.2067 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1678 -1.5899 0.1277 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 0.6979 -0.4894 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 0.1051 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 0.7388 -0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1567 -1.1942 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -0.6265 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9175 0.5653 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.7263 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -0.9709 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 -2.3109 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 1.1333 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 1.3562 -0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 0.0096 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9783 -0.0399 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 2.7843 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -2.0091 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1472 -1.9403 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -2.9201 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 -2.9513 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 0.4786 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1646 1.6596 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 1.8355 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 2.1169 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 -0.2828 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0148 0.3095 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 -0.6174 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 -1.2126 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 12 2 0 0 0 0 4 19 1 0 0 0 0 4 32 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M CHG 2 2 -1 5 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide

4.2 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)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)