CHEBI:9669 - Triamcinolone diacetate

ChEBI IDCHEBI:9669
ChEBI NameTriamcinolone diacetate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H31FO8
Net Charge0
Average Mass478.513
Monoisotopic Mass478.20030
SMILES[H][C@@]12C[C@@H](OC(C)=O)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1
InChIKeyXGMPVBXKDAHORN-RBWIMXSLSA-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 diacetate (CHEBI:9669) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
Triamcinolone diacetateKEGG COMPOUND
aristocort diacetateDrugCentral
polcortolonDrugCentral
Manual XrefsDatabases
C08184KEGG COMPOUND
D00984KEGG DRUG
2727DrugCentral
Registry NumbersSources
CAS:67-78-7KEGG COMPOUND