CAS No.: 2447-57-6 — Sulfadoxine (磺胺多辛)

1. Primary Information

English name:	Sulfadoxine
CAS No.:	2447-57-6
Molecular formula:	C₁₂H₁₄N₄O₄S
Molecular weight:	310.33 g/mol
SMILES:	COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N
Structural class:
Other identifiers:	Fanasil Ro 4 4393 Ro 4-4393 Ro 44393 Sulfadoxine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	256	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	80	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%	160	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	416	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	1440	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 1.5093 -2.1522 -0.0341 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 -2.7871 0.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 -2.6828 -1.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1711 0.1724 1.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0361 1.6849 0.4896 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -2.1200 0.6124 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -1.6464 -1.2682 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 3.6116 -0.2782 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8932 0.2588 -1.3262 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 -0.4598 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 -1.2739 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.1508 0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 0.2819 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 -0.1717 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8904 1.5029 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 1.6341 -1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 2.2445 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 0.5675 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.8447 -1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9196 -0.3707 2.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 2.3999 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1362 -2.1175 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.4049 1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1668 -0.1718 -2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 1.9678 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7617 2.2014 -2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 -1.1158 -2.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3988 4.0552 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 4.1501 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 -0.0782 3.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 -1.4633 2.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 0.0353 2.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 3.2559 0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 1.7766 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5243 2.7842 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 11 1 0 0 0 0 7 19 2 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 19 27 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

4.2 InChI

InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

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)