CHEBI:90937 - alectinib(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name alectinib(1+)
ChEBI ID CHEBI:90937
Definition An organic cation obtained by protonation of alectinib.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H35N4O2
Net Charge +1
Average Mass 483.626
Monoisotopic Mass 483.27545
InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3/p+1
InChIKey KDGFLJKFZUIJMX-UHFFFAOYSA-O
SMILES [H+].C1OCCN(C1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(C5=C(C4(C)C)NC=6C5=CC=C(C6)C#N)=O
ChEBI Ontology
Outgoing alectinib(1+) (CHEBI:90937) is a ammonium ion derivative (CHEBI:35274)
alectinib(1+) (CHEBI:90937) is a organic cation (CHEBI:25697)
alectinib(1+) (CHEBI:90937) is conjugate acid of alectinib (CHEBI:90936)
Incoming alectinib hydrochloride (CHEBI:62268) has part alectinib(1+) (CHEBI:90937)
alectinib (CHEBI:90936) is conjugate base of alectinib(1+) (CHEBI:90937)
Synonym Source
alectinib cation ChEBI
Last Modified
13 January 2016