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CHEBI:757126 - afeletecan hydrochloride

Default Structure
ChEBI IDCHEBI:757126
ChEBI Nameafeletecan hydrochloride
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC45H49N7O11S.HCl
Net Charge0
Average Mass932.453
Monoisotopic Mass931.29775
SMILESCC[C@@]1(OC(=O)[C@@H](NC(=O)[C@H](Cc2cncn2)NC(=S)Nc2ccc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl
InChIInChI=1S/C45H49N7O11S.ClH/c1-6-45(30-17-33-35-25(15-24-9-7-8-10-31(24)49-35)19-52(33)40(56)29(30)20-60-43(45)58)63-41(57)34(22(2)3)51-39(55)32(16-27-18-46-21-47-27)50-44(64)48-26-11-13-28(14-12-26)62-42-37(54)38(59-5)36(53)23(4)61-42;/h7-15,17-18,21-23,32,34,36-38,42,53-54H,6,16,19-20H2,1-5H3,(H,46,47)(H,51,55)(H2,48,50,64);1H/t23-,32-,34-,36+,37-,38+,42+,45-;/m0./s1
InChIKeyXQWYWSHYKUJQDC-NZGUGFNHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
afeletecan hydrochloride (CHEBI:757126) has role antineoplastic agent (CHEBI:35610)
afeletecan hydrochloride (CHEBI:757126) is a depsipeptide (CHEBI:23643)
Synonyms  Source
Afeletecan hydrochlorideChEMBL
Bay 38-3441ChEMBL
BAY 56-3722ChEMBL
BAY-563722ChEMBL
BAY56-3722ChEMBL