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CHEBI:135645 - delmadinone acetate

ChEBI IDCHEBI:135645
ChEBI Namedelmadinone acetate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC23H27ClO4
Net Charge0
Average Mass402.918
Monoisotopic Mass402.15979
SMILES[H][C@@]12C=C(Cl)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(C)=O)C(C)=O
InChIInChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
InChIKeyCGBCCZZJVKUAMX-DFXBJWIESA-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)
delmadinone acetate (CHEBI:135645) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
zenadrexDrugCentral
Manual XrefsDatabases
3130DrugCentral
Registry NumbersSources
CAS:13698-49-2DrugCentral