CAS No.: 389-08-2 — Nalidixic Acid (萘啶酮酸)

1. Primary Information

English name:	Nalidixic Acid
CAS No.:	389-08-2
Molecular formula:	C₁₂H₁₂N₂O₃
Molecular weight:	232.23 g/mol
SMILES:	CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
Structural class:
Other identifiers:	Acid, Nalidixic Anhydrous, Nalidixate Sodium Nalidixate Sodium Nalidixate Sodium Anhydrous Nalidixic Acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	120	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	312	2-8℃	in stock	-
Kehua Intelligence	1g	高纯，98%	40	2-8℃	in stock	-
Kehua Intelligence	5g	高纯，98%	96	2-8℃	in stock	-
Kehua Intelligence	25g	高纯，98%	232	2-8℃	in stock	-
Kehua Intelligence	100g	高纯，98%	920	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 0 0 0 0 0 0999 V2000 1.4946 -2.3100 -0.2952 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7886 -1.2526 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 0.8674 -0.3778 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 1.4067 0.2899 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 0.5282 0.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 0.3262 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 -0.9651 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6368 2.7231 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 1.1832 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 -0.0032 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -1.1914 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 -2.0466 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 -0.5384 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 3.4310 -0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6788 -1.8320 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3637 -0.0606 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5842 -0.2658 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5619 2.6790 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 3.3390 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8907 2.0931 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9393 -3.0553 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 3.5434 -1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 2.8751 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 4.4290 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -2.6594 -0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0678 -0.5571 -0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -0.8225 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7793 0.7993 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -1.3242 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 16 1 0 0 0 0 2 29 1 0 0 0 0 3 16 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 13 2 0 0 0 0 6 7 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

4.2 InChI

InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(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)