CAS No.: 3736-81-0 — Diloxanide furoate (糠酸二氯尼特)

1. Primary Information

English name:	Diloxanide furoate
CAS No.:	3736-81-0
Molecular formula:	C₁₄H₁₁Cl₂NO₄
Molecular weight:	328.1 g/mol
SMILES:	CN(C1=CC=C(C=C1)OC(=O)C2=CC=CO2)C(=O)C(Cl)Cl
Structural class:
Other identifiers:	2,2-dichloro-4'-hydroxy-N-methylacetanilide 2-furoate 2-furamide diloxanide diloxanide furoate entamide furoate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	≥90%	824	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 33 0 0 0 0 0 0 0999 V2000 -6.5277 0.6238 1.1697 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1218 0.8759 -1.7066 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 0.2162 0.7045 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3371 -0.2105 -1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8002 1.5492 0.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.6553 -1.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 -0.7018 -0.0219 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 -0.4702 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 0.7475 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -1.4578 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 -0.0094 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 0.9779 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 -1.2273 0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -2.0800 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1351 0.3762 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5981 0.0442 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4744 0.1128 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 -0.1602 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 0.6478 0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 0.6666 0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5596 0.1343 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 1.5205 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -2.4052 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.9219 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 -1.9973 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 -2.0764 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3054 -2.3886 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 -2.7967 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8432 -1.0066 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6013 0.9894 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 1.0235 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3935 -0.0570 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 17 1 0 0 0 0 4 21 1 0 0 0 0 5 15 2 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 13 2 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[4-[(2,2-dichloroacetyl)-methylamino]phenyl] furan-2-carboxylate

4.2 InChI

InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3

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)