CAS No.: 68767-14-6 — Loxoprofen (洛索洛芬)

1. Primary Information

English name:	Loxoprofen
CAS No.:	68767-14-6
Molecular formula:	C₁₅H₁₈O₃
Molecular weight:	246.30 g/mol
SMILES:	CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O
Structural class:
Other identifiers:	156-S 2-(4-((2-oxocyclopentyl)methyl)phenyl)propionic acid 2-OCPPP CS 600 CS-600

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	160	RT	in stock	-
Kehua Intelligence	5g	98%	40	RT	in stock	-
Kehua Intelligence	25g	98%	148	RT	in stock	-
Kehua Intelligence	100g	98%	448	RT	in stock	-
Kehua Intelligence	500g	98%	1680	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 37 0 1 0 0 0 0 0999 V2000 4.8111 1.1902 0.9558 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4161 -1.2669 0.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3575 -1.5844 1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 -0.0449 0.3686 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7477 -1.1942 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -1.9933 -0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0904 -0.9362 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 1.1783 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 0.1962 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5541 0.9053 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 0.4485 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 1.1154 0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1655 0.4028 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 0.1958 -1.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 0.8626 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6282 0.1327 -0.5006 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5077 1.3783 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 -0.9864 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 -0.3956 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 -0.8255 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 -1.8122 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2655 -2.6717 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 -2.5944 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 -0.6026 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 -1.2834 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.5485 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 2.0068 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 0.2918 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1498 1.4712 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 -0.2355 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7373 -0.1601 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 1.0307 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 1.7136 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 2.2079 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5573 1.1706 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6914 -1.9873 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 18 1 0 0 0 0 2 36 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid

4.2 InChI

InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(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)