CAS No.: 52549-17-4 — Pranoprofen (普拉洛芬)

1. Primary Information

English name:	Pranoprofen
CAS No.:	52549-17-4
Molecular formula:	C₁₅H₁₃NO₃
Molecular weight:	255.27 g/mol
SMILES:	CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O
Structural class:
Other identifiers:	2-(5H-(1)benzopyrano(2,3-b)pyridin-7-yl)propionic acid alpha-methyl-5H-(1)benzopyrano(2,3-b)pyridine-7-acetic acid Niflan Nifran Oftalar

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	256	-20℃	in stock	-
Kehua Intelligence	100mg	≥98%	96	-20℃	in stock	-
Kehua Intelligence	250mg	≥98%	152	-20℃	in stock	-
Kehua Intelligence	1g	≥98%	360	-20℃	in stock	-
Kehua Intelligence	5g	≥98%	1024	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 34 0 1 0 0 0 0 0999 V2000 1.8431 -1.4625 -0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 0.9453 -0.5065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5034 1.2004 -1.5223 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -0.9462 -0.3082 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 0.1936 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 1.3050 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1952 -0.5747 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 -0.2863 0.4102 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5251 -1.1098 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 0.4545 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5128 0.8403 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 -1.8716 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 -2.1404 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 -0.4897 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 0.2576 1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 1.7408 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1855 0.6884 -0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8817 1.2988 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 -0.0432 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 2.0759 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 1.7421 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -1.2175 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 1.4695 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -2.6852 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 -3.1548 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6222 -0.3889 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6301 1.2681 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1099 0.3045 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 2.7902 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 1.9839 0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 -0.4418 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8357 1.5742 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 32 1 0 0 0 0 3 17 2 0 0 0 0 4 14 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 10 23 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid

4.2 InChI

InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)

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)