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CHEBI:757801 - encequidar mesylate

Default Structure
ChEBI IDCHEBI:757801
ChEBI Nameencequidar mesylate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaCH4O3S.H2O.C38H36N6O7
Net Charge0
Average Mass802.863
Monoisotopic Mass802.26323
SMILESCOc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2.CS(=O)(=O)O.O
InChIInChI=1S/C38H36N6O7.CH4O3S.H2O/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36;1-5(2,3)4;/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46);1H3,(H,2,3,4);1H2
InChIKeyDGJLRUWQERZYGC-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
encequidar mesylate (CHEBI:757801) has role antineoplastic agent (CHEBI:35610)
encequidar mesylate (CHEBI:757801) is a aromatic amide (CHEBI:62733)
Synonyms  Source
Encequidar mesylateChEMBL
Encequidar mesylate anhydrousChEMBL
Encequidar mesylate monohydrateChEMBL
FM0F74ChEMBL
HM-30181AChEMBL
HM30181AChEMBL
Brand Name  Source
Encequidar mesylate component of oraxol hm-30181aChEMBL