CAS No.: 156052-68-5 — Zoxamide (苯酰菌胺)

1. Primary Information

English name:	Zoxamide
CAS No.:	156052-68-5
Molecular formula:	C₁₄H₁₆Cl₃NO₂
Molecular weight:	336.6 g/mol
SMILES:	CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl
Structural class:
Other identifiers:	RH 7281 RH-7281 RH7281 zoxamide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene:acetone(8:2)	360	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene:acetone(8:2)	152	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 36 0 1 0 0 0 0 0999 V2000 4.2467 3.0339 -0.6665 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8828 3.1292 0.4194 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8528 -1.8318 -0.6919 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 0.3319 0.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 -2.2402 0.8077 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 -0.2051 0.2311 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -0.6330 0.3581 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8253 -1.8263 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 -1.0575 1.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 0.5182 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -1.5164 -2.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -1.0653 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9493 1.8583 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 -0.4892 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -1.3206 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 0.8776 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7535 0.5990 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 1.4248 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5555 -0.7737 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 1.1862 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8687 -2.1454 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -2.7063 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 -1.9487 2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 -1.2849 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.2514 2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9712 0.7037 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 -2.4031 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 -0.7102 -2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 -1.2304 -2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 2.2614 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 1.7551 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 -2.3902 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 1.5391 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6714 1.1852 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0819 2.2100 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 0.6430 -1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 10 2 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide

4.2 InChI

InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)

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)