milademetan tosylate (CHEBI:756866)

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CHEBI:756866 - milademetan tosylate

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ChEBI ID	CHEBI:756866
ChEBI Name	milademetan tosylate
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C30H34Cl2FN5O4.C7H8O3S
Net Charge	0
Average Mass	790.742
Monoisotopic Mass	789.21660
SMILES	CC1(C)CCC2(CC1)N[C@@H](C(=O)N[C@@H]1CC[C@@H](C(N)=O)OC1)[C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc21.Cc1ccc(S(=O)(=O)O)cc1
InChI	InChI=1S/C30H34Cl2FN5O4.C7H8O3S/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41);2-5H,1H3,(H,8,9,10)/t16-,20+,21+,23-,30-;/m1./s1
InChIKey	NHIUKVHKLJSJEA-LINJWFRASA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	milademetan tosylate (CHEBI:756866) has role antineoplastic agent (CHEBI:35610)
	milademetan tosylate (CHEBI:756866) is a amino acid amide (CHEBI:22475)

Synonyms	Source
Ds 3032b	ChEMBL
DS3032b	ChEMBL
DS-3032B	ChEMBL
DS-3032 TOSYLATE	ChEMBL
Milademetan tosylate	ChEMBL
RAIN-32 Ts	ChEMBL