CAS No.: 58810-48-3 — Ofurace (呋酰胺)

1. Primary Information

English name:	Ofurace
CAS No.:	58810-48-3
Molecular formula:	C₁₄H₁₆ClNO₃
Molecular weight:	281.73 g/mol
SMILES:	CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl
Structural class:
Other identifiers:	2-chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furanyl)acetamide ofurace

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	464	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 1 0 0 0 0 0999 V2000 -0.6969 -4.2285 -0.4009 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 1.4996 -0.2981 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 -0.7522 -0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -2.5199 0.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 -0.3979 0.3699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 0.4149 0.8051 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1308 1.8949 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 2.4771 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9449 0.2624 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5824 0.2788 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8451 0.4096 1.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.6799 -1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 -1.8256 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0546 1.0361 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 1.3064 -1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 -0.0604 2.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 0.5038 -2.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8677 -2.4634 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 1.4844 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 0.0970 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 2.2903 1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.2236 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 3.4264 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 2.6222 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8137 1.1834 1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5531 1.6637 -2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 0.1268 3.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 -1.1376 2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 0.4673 2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 0.5672 -3.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 1.2866 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3619 -0.4738 -2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -2.2796 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 -2.1180 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2455 1.9728 -0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 13 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 10 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 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 25 1 0 0 0 0 15 19 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide

4.2 InChI

InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3

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)