CAS No.: 22161-81-5 — Dexketoprofen (右旋酮洛芬)

1. Primary Information

English name:	Dexketoprofen
CAS No.:	22161-81-5
Molecular formula:	C₁₆H₁₄O₃
Molecular weight:	254.28 g/mol
SMILES:	CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
Structural class:
Other identifiers:	Adolquir Badyket dexketoprofen dexketoprofen trometamol Enangel

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	98.5%	44	RT	in stock	-
Kehua Intelligence	1g	98.5%	104	RT	in stock	-
Kehua Intelligence	5g	98.5%	320	RT	in stock	-
Kehua Intelligence	25g	98.5%	1040	RT	in stock	-
Kehua Intelligence	100g	98.5%	3360	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 34 0 1 0 0 0 0 0999 V2000 4.1742 -2.4668 -0.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 1.8068 -1.8087 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -2.1875 0.4243 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -0.2051 -0.1915 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1594 0.6222 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 0.4827 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 1.2593 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.5367 1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 0.0376 -1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0402 2.1717 0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1701 2.3112 1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4131 1.1128 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -1.7053 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3738 0.1384 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -0.6286 0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5947 -0.0290 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9962 -1.5631 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5163 -0.9635 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2169 -1.7306 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 0.0429 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8513 -0.2252 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 1.6586 1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -0.3331 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 1.1068 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 -0.4730 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 2.7794 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 3.0232 2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -0.5423 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 0.5566 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -2.1609 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4669 -1.0943 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9344 -2.4582 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 -3.4222 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 33 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 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 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-(3-benzoylphenyl)propanoic acid

4.2 InChI

InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1

4.3 InChIKey

DKYWVDODHFEZIM-NSHDSACASA-N

4.4 Canonical SMILES

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O

4.5 Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)