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CHEBI:50854 - hydrocortamate hydrochloride

ChEBI IDCHEBI:50854
ChEBI Namehydrocortamate hydrochloride
Stars
Last Modified15 October 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaH.C27H41NO6.Cl
Net Charge0
Average Mass512.087
Monoisotopic Mass511.27007
SMILES[Cl-].[H+].[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C27H41NO6.ClH/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4;/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3;1H/t19-,20-,21-,24+,25-,26-,27-;/m0./s1
InChIKeyAKQNAIYKSALPKV-OYHXESGYSA-N
ChEBI Ontology
Outgoing Relation(s)
hydrocortamate hydrochloride (CHEBI:50854) has functional parent hydrocortamate (CHEBI:50851)
hydrocortamate hydrochloride (CHEBI:50854) is a hydrochloride (CHEBI:36807)
IUPAC Name 
11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate hydrochloride
Manual XrefsDatabases
DB00769DrugBank
Registry NumbersSources
CAS:125-03-1ChemIDplus