CHEBI:135819 - dexamethasone acefurate

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ChEBI Name dexamethasone acefurate
ChEBI ID CHEBI:135819
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H33FO8
Net Charge 0
Average Mass 528.567
Monoisotopic Mass 528.21595
InChI InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1
InChIKey DDIWRLSEGOVQQD-BJRLRHTOSA-N
SMILES O(C(=O)C1=CC=CO1)[C@@]2(C(COC(C)=O)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(CC4)=CC(C=C5)=O)[H])[H]
Roles Classification
Biological Role(s): 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.
(via steroid hormone )
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ChEBI Ontology
Outgoing dexamethasone acefurate (CHEBI:135819) is a corticosteroid hormone (CHEBI:36699)
Synonym Source
dexamethasone cipecilate DrugCentral
Manual Xref Database
825 DrugCentral
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Registry Number Type Source
83880-70-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017