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CHEBI:73129 - tazarotenic acid

ChEBI IDCHEBI:73129
ChEBI Nametazarotenic acid
Stars
DefinitionA thiochromane that is acetylene in which the hydrogens are replaced by 5-carboxypyridin-2-yl and 4,4-dimethylthiochroman-6-yl groups. It is the active form of the prodrug tazarotene.
Last Modified7 December 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H17NO2S
Net Charge0
Average Mass323.417
Monoisotopic Mass323.09800
SMILESCC1(C)CCSc2ccc(C#Cc3ccc(C(=O)O)cn3)cc21
InChIInChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyIQIBKLWBVJPOQO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
teratogenic agent  A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
Application:
keratolytic drug  A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases.
ChEBI Ontology
Outgoing Relation(s)
tazarotenic acid (CHEBI:73129) has role keratolytic drug (CHEBI:50176)
tazarotenic acid (CHEBI:73129) has role teratogenic agent (CHEBI:50905)
tazarotenic acid (CHEBI:73129) is a monocarboxylic acid (CHEBI:25384)
tazarotenic acid (CHEBI:73129) is a pyridines (CHEBI:26421)
tazarotenic acid (CHEBI:73129) is a retinoid (CHEBI:26537)
tazarotenic acid (CHEBI:73129) is a thiochromane (CHEBI:50747)
Incoming Relation(s)
tazarotene (CHEBI:32184) has functional parent tazarotenic acid (CHEBI:73129)
IUPAC Name 
6-[(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]nicotinic acid
Synonyms  Source
Agn 190299ChemIDplus
6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic acidChemIDplus
AGN 190299ChemIDplus
6-((3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-3-pyridinecarboxylic acidChemIDplus
AGN-190299ChemIDplus
Manual XrefsDatabases
WO2006022964Patent
US2006020037Patent
Registry NumbersSources
Reaxys:9718318Reaxys
CAS:118292-41-4ChemIDplus
Citations