Products 22966-79-6

CAS 22966-79-6 is the registry number for Estradiol Mustard. Offered by: TRC. Available pack sizes: 500mg.

Structural formula: {0} (CAS {1})

Estradiol mustard is a steroid ester.

Source: ChEBI

Identity
Molecular formulaC42H50Cl4N2O4
Molecular weight788.7 g/mol
IUPAC name[(8R,9S,13S,14S,17S)-3-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
InChIKeyLRSFXIJGHRPOQQ-VZRQQIPSSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl

Computed by PubChem (NCBI)