CAS No.: 85721-33-1 — Ciprofloxacin (环丙沙星)

1. Primary Information

English name:	Ciprofloxacin
CAS No.:	85721-33-1
Molecular formula:	C₁₇H₁₈FN₃O₃
Molecular weight:	331.34 g/mol
SMILES:	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Structural class:
Other identifiers:	Anhydrous, Ciprofloxacin Hydrochloride Bay 09867 Bay-09867 Bay09867 Ciprinol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	144	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	5g	生物技术级，90%	40	2-8℃	in stock	-
Kehua Intelligence	25g	生物技术级，90%	120	2-8℃	in stock	-
Kehua Intelligence	100g	生物技术级，90%	400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 42 45 0 0 0 0 0 0 0999 V2000 -2.2164 2.7826 0.3610 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 2.5240 0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 1.4595 0.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -0.2899 -0.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -1.3112 -0.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 0.1877 0.0112 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8815 -0.5181 -0.2456 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -2.7265 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -3.7953 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -3.4159 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 -0.2889 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 -0.9817 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 1.0479 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 -0.5519 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 0.4786 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 0.8291 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 -1.1171 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 0.2493 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 1.3744 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 0.8278 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -1.0498 0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 2.0797 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 1.7904 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 0.4153 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 -2.9710 -1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 -3.5196 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -4.7488 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -4.1162 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 -2.9133 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 -1.8387 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -1.5547 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 0.2839 -1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.8648 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 -1.4308 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 -1.8755 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5769 1.5043 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0399 1.2092 -1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4362 -2.0558 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 -0.4304 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 3.1098 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8602 -0.4802 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 1.6030 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 24 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 18 2 0 0 0 0 12 30 1 0 0 0 0 13 19 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 23 2 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

4.2 InChI

InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)

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)