EBB | |
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Molecular structure via molpic based on CDK |
Physical properties [] | |
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Molecular mass | 720.7 g/mol [1] |
Predicted LogP | 9.7 [1] |
Structural Identifiers [] | |
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Molecular formula | C41H47Cl2NO6 [1] |
IUPAC name | [(8R,9S,13S,14S,17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate [1] |
SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6 [1] |
InChI | InChI=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 [1] |
InChIKey | IFJUINDAXYAPTO-UUBSBJJBSA-N [1] |
Estradiol benzoate butyrate
(Redirected from Estradiol benzoate butyrate)
Estradiol benzoate butyrate (also known as Atrimustine, Bestrabucil, Atrimustina, Atrimustinum, Estradiol Benzoate Butyrate, KM2210, Estra-1,3,5(10)-triene-3,17-diol, (17-β)-, 3-benzoate, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate), Estradiol 3-benzoate 17-glycolate, 4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate, Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) or KM-2210)
Chemistry
Stereochemistry []
Estradiol benzoate butyrate is a absolute mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 6917688, Estradiol benzoate butyrate. Accessed July 7, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/6917688
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol benzoate butyrate. UNII: XC0K09B7K4. Global Substance Registration System. Accessed July 7, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XC0K09B7K4