trioxifene mesylate (CHEBI:750839)

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CHEBI:750839 - trioxifene mesylate

ChEBI ID	CHEBI:750839
ChEBI Name	trioxifene mesylate
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	CH4O3S.C30H31NO3
Net Charge	0
Average Mass	549.689
Monoisotopic Mass	549.21851
SMILES	COc1ccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccccc3CC2)cc1.CS(=O)(=O)O
InChI	InChI=1S/C30H31NO3.CH4O3S/c1-33-25-13-8-23(9-14-25)28-17-12-22-6-2-3-7-27(22)29(28)30(32)24-10-15-26(16-11-24)34-21-20-31-18-4-5-19-31;1-5(2,3)4/h2-3,6-11,13-16H,4-5,12,17-21H2,1H3;1H3,(H,2,3,4)
InChIKey	RAHJASYQAFJPFD-UHFFFAOYSA-N

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	trioxifene mesylate (CHEBI:750839) is a diarylheptanoid (CHEBI:78802)

Synonyms	Source
COMPOUND 133314	ChEMBL
COMPOUND-133314	ChEMBL
Trioxifene mesilate	ChEMBL
Trioxifene mesylate	ChEMBL

Citations