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CHEBI:758969 - bomedemstat tosylate

Default Structure
ChEBI IDCHEBI:758969
ChEBI Namebomedemstat tosylate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC7H8O3S.C28H34FN7O2.C7H8O3S
Net Charge0
Average Mass864.035
Monoisotopic Mass863.31463
SMILESCN1CCN(C(=O)[C@H](CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(-n3ccnn3)cc2)CC1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C28H34FN7O2.2C7H8O3S/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37);2*2-5H,1H3,(H,8,9,10)/t24-,25-,26+;;/m0../s1
InChIKeyWLRWBXFBIJMKHG-DVNXTAPYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bomedemstat tosylate (CHEBI:758969) has role antineoplastic agent (CHEBI:35610)
bomedemstat tosylate (CHEBI:758969) is a N-acylglycine (CHEBI:16180)
Synonyms  Source
Bomedemstat ditosylateChEMBL
Bomedemstat tosylateChEMBL
IMG-241 bis-tosylate saltChEMBL
IMG-7289 DITOSYLATEChEMBL