CAS No.: 42835-25-6 — Flumequine (氟甲喹)

1. Primary Information

English name:	Flumequine
CAS No.:	42835-25-6
Molecular formula:	C₁₄H₁₂FNO₃
Molecular weight:	261.25 g/mol
SMILES:	CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
Structural class:
Other identifiers:	Apurone flumequine R 802 R-802

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	240	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100µg/ml in methanol	104	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000µg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1g	98%(HPLC)	56	2-8℃	in stock	-
Kehua Intelligence	5g	98%(HPLC)	76	2-8℃	in stock	-
Kehua Intelligence	25g	98%(HPLC)	208	2-8℃	in stock	-
Kehua Intelligence	100g	98%(HPLC)	600	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 33 0 1 0 0 0 0 0999 V2000 -3.2560 3.0859 -0.2159 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7336 2.3970 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 1.2594 0.5925 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2703 -0.7833 -0.3957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 -1.3372 0.1508 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 -2.6948 0.1368 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8028 -2.7296 0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 -1.7382 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 -0.2302 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -0.3787 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2294 1.0756 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 -3.2140 -1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4872 -1.1208 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 0.7456 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 0.0676 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 1.2786 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 2.1918 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 2.0219 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 0.1034 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -3.3693 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6451 -2.4813 1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 -3.7396 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 -1.6802 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1273 -2.0782 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 -3.2870 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 -4.2114 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1285 -2.5537 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 -2.0439 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0723 0.6299 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 3.1966 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 1.3204 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 19 1 0 0 0 0 3 31 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid

4.2 InChI

InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)

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)