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CHEBI:756822 - simmitecan

Default Structure
ChEBI IDCHEBI:756822
ChEBI Namesimmitecan
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C34H38N4O6
Net Charge0
Average Mass635.161
Monoisotopic Mass634.25581
SMILESC=CCc1c(OC(=O)N2CCC(N3CCCCC3)CC2)ccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC.Cl
InChIInChI=1S/C34H38N4O6.ClH/c1-3-8-23-24-17-21-19-38-28(18-26-25(31(38)39)20-43-32(40)34(26,42)4-2)30(21)35-27(24)9-10-29(23)44-33(41)37-15-11-22(12-16-37)36-13-6-5-7-14-36;/h3,9-10,17-18,22,42H,1,4-8,11-16,19-20H2,2H3;1H/t34-;/m0./s1
InChIKeyUWNITDCAZZJJFF-GXUZKUJRSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
simmitecan (CHEBI:756822) has role antineoplastic agent (CHEBI:35610)
simmitecan (CHEBI:756822) is a pyranoindolizinoquinoline (CHEBI:48626)
Synonyms  Source
SimmitecanChEMBL
Simmitecan hydrochlorideChEMBL