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CHEBI:90997 - alvocidib(1+)

ChEBI IDCHEBI:90997
ChEBI Namealvocidib(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the amino group of alvocidib.
Last Modified21 January 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H21ClNO5
Net Charge+1
Average Mass402.854
Monoisotopic Mass402.11028
SMILESC[NH+]1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1
InChIInChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/p+1/t12-,17+/m0/s1
InChIKeyBIIVYFLTOXDAOV-YVEFUNNKSA-O
ChEBI Ontology
Outgoing Relation(s)
alvocidib(1+) (CHEBI:90997) is a ammonium ion derivative (CHEBI:35274)
alvocidib(1+) (CHEBI:90997) is conjugate acid of alvocidib (CHEBI:47344)
Incoming Relation(s)
alvocidib hydrochloride (CHEBI:90998) has part alvocidib(1+) (CHEBI:90997)
alvocidib (CHEBI:47344) is conjugate base of alvocidib(1+) (CHEBI:90997)
IUPAC Name 
(3S,4R)-4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium