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CHEBI:757553 - duocarmazine

Default Structure
ChEBI IDCHEBI:757553
ChEBI Nameduocarmazine
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC65H75ClN12O17
Net Charge0
Average Mass1331.835
Monoisotopic Mass1330.50617
SMILESCc1cccc2c(OC(=O)N(CCOCCO)CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)OCCOCCN4C(=O)C=CC4=O)C(C)C)cc3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1
InChIInChI=1S/C65H75ClN12O17/c1-39(2)57(73-63(88)93-32-31-92-29-26-77-53(81)20-21-54(77)82)60(85)72-48(9-6-22-68-62(67)87)59(84)69-44-14-10-41(11-15-44)38-94-64(89)74(4)23-24-75(25-28-91-30-27-79)65(90)95-51-33-50-56(55-40(3)7-5-8-47(51)55)43(34-66)35-78(50)61(86)49-37-76-36-45(16-19-52(76)71-49)70-58(83)42-12-17-46(80)18-13-42/h5,7-8,10-21,33,36-37,39,43,48,57,79-80H,6,9,22-32,34-35,38H2,1-4H3,(H,69,84)(H,70,83)(H,72,85)(H,73,88)(H3,67,68,87)/t43-,48+,57+/m1/s1
InChIKeyRFQYSAASDBNNDZ-UCGHAGIGSA-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)
duocarmazine (CHEBI:757553) has role antineoplastic agent (CHEBI:35610)
duocarmazine (CHEBI:757553) is a dipeptide (CHEBI:46761)
Synonyms  Source
DuocarmazineChEMBL
SYD980ChEMBL
Vc-seco-dubaChEMBL