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CHEBI:751978 - atrimustine

Default Structure
ChEBI IDCHEBI:751978
ChEBI Nameatrimustine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC41H47Cl2NO6
Net Charge0
Average Mass720.734
Monoisotopic Mass719.27804
SMILES[H][C@@]12CCc3cc(OC(=O)c4ccccc4)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)COC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)CC[C@@]21[H]
InChIInChI=1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34-,35-,36+,37+,41+/m1/s1
InChIKeyIFJUINDAXYAPTO-UUBSBJJBSA-N
ChEBI Ontology
Outgoing Relation(s)
atrimustine (CHEBI:751978) is a steroid ester (CHEBI:47880)
INNs  Source
atrimustinaWHO MedNet
atrimustineWHO MedNet
Synonyms  Source
Estradiol-3-benzoate-17-butyrateChEMBL
Estradiol benzoate butyrateChEMBL