CHEBI:90997 - alvocidib(1+)

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ChEBI Name alvocidib(1+) ChEBI ID CHEBI:90997 Definition An ammonium ion resulting from the protonation of the amino group of alvocidib. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H21ClNO5 Net Charge +1 Average Mass 402.849 Monoisotopic Mass 402.11028 InChI InChI=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 InChIKey BIIVYFLTOXDAOV-YVEFUNNKSA-O SMILES C=12OC(=CC(C1C(=CC(=C2[C@@H]3[C@@H](C[NH+](CC3)C)O)O)O)=O)C4=C(C=CC=C4)Cl ChEBI Ontology Outgoing alvocidib(1+) (CHEBI:90997) is a ammonium ion derivative (CHEBI:35274) alvocidib(1+) (CHEBI:90997) is conjugate acid of alvocidib (CHEBI:47344) Incoming 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 Last Modified 21 January 2016