CAS No.: 122-11-2 — Sulfadimethoxine (磺胺二甲氧嘧啶)

1. Primary Information

English name:	Sulfadimethoxine
CAS No.:	122-11-2
Molecular formula:	C₁₂H₁₄N₄O₄S
Molecular weight:	310.33 g/mol
SMILES:	COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC
Structural class:
Other identifiers:	Deposul Sulfadimethoxine Sulphadimethoxine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	330	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	-20℃	in stock	-
Kehua Intelligence	5g	98%	88	2-8℃	in stock	-
Kehua Intelligence	25g	98%	240	2-8℃	in stock	-
Kehua Intelligence	100g	98%	720	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 -1.2704 -2.2101 -0.5464 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 -2.8688 -1.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 -2.9255 0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1346 2.6207 -1.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 -0.7487 1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 -1.7026 -1.5186 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -1.2220 0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 2.9439 1.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7779 0.9498 0.1681 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.6973 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 -0.0850 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -0.1004 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 -0.7641 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 1.7211 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 1.1241 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 1.1088 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.5091 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 1.3341 -0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 -0.3224 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 3.4258 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -2.0906 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -1.5271 -2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -0.5273 -1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -0.5582 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2878 1.5925 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 1.5644 2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 0.8477 -2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3596 3.3883 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 3.3765 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 4.4144 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 3.0054 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 3.5524 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 -2.7963 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 -2.2508 2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 -2.2778 2.8745 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 18 1 0 0 0 0 4 20 1 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 19 2 0 0 0 0 8 14 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 11 2 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 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-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

4.2 InChI

InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)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)