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CHEBI:135852 - triamcinolone benetonide

ChEBI IDCHEBI:135852
ChEBI Nametriamcinolone benetonide
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC35H42FNO8
Net Charge0
Average Mass623.718
Monoisotopic Mass623.28945
SMILES[H][C@@]12C[C@@]3([H])OC(C)(C)O[C@@]3(C(=O)COC(=O)C(C)CNC(=O)c3ccccc3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C35H42FNO8/c1-20(18-37-29(41)21-9-7-6-8-10-21)30(42)43-19-27(40)35-28(44-31(2,3)45-35)16-25-24-12-11-22-15-23(38)13-14-32(22,4)34(24,36)26(39)17-33(25,35)5/h6-10,13-15,20,24-26,28,39H,11-12,16-19H2,1-5H3,(H,37,41)/t20?,24-,25-,26-,28+,32-,33-,34-,35+/m0/s1
InChIKeyGUYPYYARYIIWJZ-CYEPYHPTSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
triamcinolone benetonide (CHEBI:135852) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
tibicortenDrugCentral
Manual XrefsDatabases
4067DrugCentral
Registry NumbersSources
CAS:31002-79-6DrugCentral