CAS No.: 28657-80-9 — Cinoxacin (Cinoxacin)

1. Primary Information

English name:	Cinoxacin
CAS No.:	28657-80-9
Molecular formula:	C₁₂H₁₀N₂O₅
Molecular weight:	262.22 g/mol
SMILES:	CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3
Structural class:
Other identifiers:	Acid, Azolinic Azolinic Acid Cinobac Cinoxacin Clinoxacin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	104	RT	in stock	-
Kehua Intelligence	100mg	99%	1840	RT	in stock	-
Kehua Intelligence	50mg	98%	192	RT	in stock	-
Kehua Intelligence	250mg	98%	768	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 31 0 0 0 0 0 0 0999 V2000 -4.0338 0.7196 0.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 -1.6565 -0.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3914 -2.4482 -0.1858 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 -0.6797 -1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -1.0159 1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8121 1.4692 0.2774 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 0.9738 0.2351 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.6741 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 -0.7216 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 0.3513 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 1.2062 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 -1.0028 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 -1.5788 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 2.9100 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 -1.2632 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -0.2962 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6818 -0.5586 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 3.6289 -0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -0.7117 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 2.2665 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 -2.6495 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 3.2073 1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5903 3.2623 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -0.5250 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -0.7372 0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 3.3949 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 3.3446 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6595 4.7124 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -0.9452 -1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 29 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid

4.2 InChI

InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)

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)