CAS No.: 59756-60-4 — Fluridone (-)

1. Primary Information

English name:	Fluridone
CAS No.:	59756-60-4
Molecular formula:	C₁₉H₁₄F₃NO
Molecular weight:	329.3 g/mol
SMILES:	CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3
Structural class:
Other identifiers:	EL 171 EL-171 fluridone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥97%	680	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	416	-20℃，避光	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 4.8624 0.3823 -1.9786 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 1.3915 -0.3299 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 2.2944 -1.2708 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 1.0407 0.9597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -2.6072 -0.7586 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 -0.9780 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 -0.4951 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 -0.6017 0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9543 -0.0438 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0442 -2.1734 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -1.7277 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4798 0.3734 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 0.0485 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 -0.8932 1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.4056 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4562 -3.9124 -1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1615 0.1133 1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 -0.5362 2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 0.3327 1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7641 1.2414 -1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6142 1.1016 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4502 1.1561 1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 2.0649 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7318 2.0221 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -2.9022 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -2.1255 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0766 0.2804 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -1.3980 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4611 -4.3139 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -4.6430 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -3.8301 -2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 0.3837 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -0.7635 3.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1192 -0.3362 1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 1.2872 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1065 1.1232 1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 2.7395 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6073 2.6634 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

4.2 InChI

InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,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)