loading...| Preferred Name |
alclofenac |
| Synonyms |
alclofenacum 3-Chloro-4-(2-propenyloxy)benzeneacetic acid alclofenac alclofenaco (4-Allyloxy-3-chlorphenyl)essigsaeure [4-(allyloxy)-3-chlorophenyl]acetic acid [3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid |
| Definitions |
An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_31183 |
| charge |
0 |
| database_cross_reference |
PMID:241601 PMID:18796 Patent:BE704368 PMID:241593 Reaxys:2116510 PMID:4279126 PMID:6103793 PMID:241603 CAS:22131-79-9 PMID:6109575 Drug_Central:107 PMID:241595 PMID:7905004 PMID:6106453 PMID:6141199 PMID:241597 PMID:509935 PMID:241596 PMID:6120697 PMID:7853459 PMID:21068 PMID:241598 Wikipedia:Alclofenac KEGG:D01252 PMID:236805 PMID:24426 PMID:241600 PMID:19205 PMID:241602 PMID:237493 |
| definition |
An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. |
| formula |
C11H11ClO3 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_35475 |
| has_exact_synonym |
[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
alclofenacum 3-Chloro-4-(2-propenyloxy)benzeneacetic acid alclofenac alclofenaco (4-Allyloxy-3-chlorphenyl)essigsaeure [4-(allyloxy)-3-chlorophenyl]acetic acid |
| id |
CHEBI:31183 |
| in_subset | |
| 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) |
| inchikey |
ARHWPKZXBHOEEE-UHFFFAOYSA-N |
| label |
alclofenac |
| mass |
226.65600 |
| monoisotopicmass |
226.03967 |
| notation |
CHEBI:31183 |
| prefLabel |
alclofenac |
| smiles |
OC(=O)Cc1ccc(OCC=C)c(Cl)c1 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_25384 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25384 |