CAS No.: 22662-39-1 — Rafoxanide (雷复尼特)

1. Primary Information

English name:	Rafoxanide
CAS No.:	22662-39-1
Molecular formula:	C₁₉H₁₁Cl₂I₂NO₃
Molecular weight:	626.0 g/mol
SMILES:	C1=CC(=CC=C1OC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl)Cl
Structural class:
Other identifiers:	Disalan Flukanide MK 990 Rafoxanid Rafoxanide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	480	2-8℃	in stock	-
Kehua Intelligence	250mg	98%	68	2-8℃	in stock	-
Kehua Intelligence	1g	98%	92	2-8℃	in stock	-
Kehua Intelligence	5g	98%	280	2-8℃	in stock	-
Kehua Intelligence	25g	98%	720	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 40 0 0 0 0 0 0 0999 V2000 7.6448 2.1599 0.6724 I 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 -2.7066 -2.3788 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -3.5010 0.9356 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.4682 1.9624 -2.3771 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -0.8222 1.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4229 2.2487 1.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 1.7266 0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5531 -0.5803 0.2903 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 -0.6503 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 0.3117 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.7856 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 -1.8879 0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 0.5212 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 0.5571 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8216 -1.9562 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9105 0.4530 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 1.1672 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -0.7983 -0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7311 -0.1661 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1016 0.9125 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4295 -1.0531 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 -0.1978 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -0.3219 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7442 0.6297 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 0.3398 -1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5951 1.2913 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4189 1.1462 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -1.4921 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 -2.7976 0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 1.5150 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4605 1.3742 1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3308 -1.4569 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4717 -0.3988 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7615 -0.9582 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8822 0.7438 2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2452 0.2145 -2.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3909 1.9165 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4946 2.2013 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 15 1 0 0 0 0 4 27 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 6 17 1 0 0 0 0 6 38 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 28 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 27 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide

4.2 InChI

InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)

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)