EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:751601 - volasertib trihydrochloride

Default Structure
ChEBI IDCHEBI:751601
ChEBI Namevolasertib trihydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C34H50N8O3.HCl.HCl
Net Charge0
Average Mass728.210
Monoisotopic Mass726.33062
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C.Cl.Cl.Cl
InChIInChI=1S/C34H50N8O3.3ClH/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23;;;/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38);3*1H/t25-,26-,28-;;;/m1.../s1
InChIKeyJFEPFDDQDQBWIL-VCVQLDHKSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
volasertib trihydrochloride (CHEBI:751601) is a α-amino acid (CHEBI:33704)
Synonyms  Source
BI 6727 CL3ChEMBL
BI-6727 CL3ChEMBL
BI-6727-CL3ChEMBL
BI 6727 TRIHYDROCHLORIDEChEMBL
Volasertib hydrochlorideChEMBL
Volasertib trihydrochlorideChEMBL