CAS: 22966-79-6 - Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate]

Formula: C₄₀H₄₆Cl₄N₂O₄

InChI: InChI=1S/C42H50Cl4N2O4/c1-42-17-16-36-35-13-11-34(51-40(49)26-29-2-7-32(8-3-29)47(22-18-43)23-19-44)28-31(35)6-12-37(36)38(42)14-15-39(42)52-41(50)27-30-4-9-33(10-5-30)48(24-20-45)25-21-46/h2-5,7-11,13,28,36-39H,6,12,14-27H2,1H3/t36-,37-,38+,39+,42+/m1/s1

InChI key: InChIKey=LRSFXIJGHRPOQQ-VZRQQIPSSA-N

SMILES: O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)CCC34)CC6=CC=C(C=C6)N(CCCl)CCCl

Synonyms:

• (17Beta)-Estra-1,3,5(10)-Triene-3,17-Diyl Bis({4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetate)
• (17Beta)-Estra-1,3,5(10)-Triene-3,17-Diyl Bis{4-[Bis(2-Chloroethyl)Amino]Benzoate}
• (17b)-Estra-1,3,5(10)-triene-3,17-diol bis[4-[bis(2-chloroethyl)amino]benzeneacetate]
• Acetic acid, [p-[bis(2-chloroethyl)amino]phenyl]-, diester with estradiol
• Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-bis[4-[bis(2-chloroethyl)amino]benzeneacetate]
• Estra-1,3,5(10)-triene-3,17-diol (17β)-, bis[4-[bis(2-chloroethyl)amino]benzeneacetate]
• Estradiol mustard
• Estradiol, bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate]
• NSC 112259

Estradiolbis[4-[bis(2-chloroethyl)amino]benzeneacetate]

CAS: 22966-79-6

Estradiolbis[4-[bis(2-chloroethyl)amino]benzeneacetate] is a prodrug of estradiol that has been shown to have anticancer activity. It …

• Formula: C₄₂H₅₀Cl₄N₂O₄
• Purity: Min. 95%
• Molecular weight: 788.67 g/mol

Estradiol Mustard

CAS: 22966-79-6

• Formula: C₄₂H₅₀Cl₄N₂O₄
• Color and Shape: Neat
• Molecular weight: 788.669