Home Other Building Blocks ALCLOFENAC

ALCLOFENAC

CAS No.:
22131-79-9
Catalog Number:
AG00C1BZ
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00C1BZ
Chemical Name:
ALCLOFENAC
CAS Number:
22131-79-9
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
MDL Number:
MFCD00071612
IUPAC Name:
2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid
InChI:
InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)
InChI Key:
ARHWPKZXBHOEEE-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1Cl)CC(=O)O
EC Number:
244-795-4
UNII:
M9CP5H21N8
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Drugs for relief of pain in patients with sciatica: systematic review and meta-analysis. BMJ (Clinical research ed.) 20120101
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Aldosterone glucuronidation by human liver and kidney microsomes and recombinant UDP-glucuronosyltransferases: inhibition by NSAIDs. British journal of clinical pharmacology 20090901
Percutaneous permeation enhancement by terpenes: mechanistic view. The AAPS journal 20080301
Non-steroidal anti-inflammatory drugs for heavy bleeding or pain associated with intrauterine-device use. The Cochrane database of systematic reviews 20061018
Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations. Biochemistry 20010501
Skin sensitizing properties of arylalcanoic acids and their analogues. Contact dermatitis 19790901
Renal papillary necrosis after aspirin and alclofenac. British medical journal 19771210
Alclofenac: a review of its pharmacological properties and therapeutic efficacy in rheumatoid arthritis and allied rheumatic disorders. Drugs 19771001
The chemical and biological background to alclofenac. Current medical research and opinion 19750101
Simultaneous pharmacokinetics of alclofenace in plasma and synovial fluid in patients with rheumatoid arthritis. Current medical research and opinion 19750101
The influence of alclofenac treatment on acute-phase proteins, plasma tryptophan, and erythrocyte sedimentation rate in patients with rheumatoid arthritis. Current medical research and opinion 19750101
Therapeutic activity of 4-allyloxy-3-chlorophenylacetic acid. Arzneimittel-Forschung 19700401
Properties