CAS 73913-48-1 | Deoxyketoprofen | CAS Number 73913-48-1

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73913-48-1 | Deoxyketoprofen

CAS No: 73913-48-1 Catalog No: AG005AKP MDL No:

Product Description

Catalog Number:

AG005AKP

Chemical Name:

Deoxyketoprofen

CAS Number:

73913-48-1

Molecular Formula:

C16H16O2

Molecular Weight:

240.2970

IUPAC Name:

2-(3-benzylphenyl)propanoic acid

InChI:

InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18)

InChI Key:

RYYYTOGKTKBJDJ-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1cccc(c1)Cc1ccccc1)C

Properties

Complexity:

268

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.302g/mol

Monoisotopic Mass:

240.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2.	Journal of medicinal chemistry 20070823
2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.	Journal of medicinal chemistry 20050630