Account (8R,9S,13S,14S,17S)-17-(2-((4-(4-(bis(2-chloroethyl)amino)phenyl)butanoyl)oxy)acetoxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate
- Catalog No. :
- ACEELO338
- CAS No. :
- 75219-46-4
- Molecular Formula :
- C41H47Cl2NO6
- Molecular Weight :
- 720.73
IUPAC Name:(8R,9S,13S,14S,17S)-17-(2-((4-(4-(bis(2-chloroethyl)amino)phenyl)butanoyl)oxy)acetoxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate
![(8R,9S,13S,14S,17S)-17-(2-((4-(4-(bis(2-chloroethyl)amino)phenyl)butanoyl)oxy)acetoxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (8R,9S,13S,14S,17S)-17-(2-((4-(4-(bis(2-chloroethyl)amino)phenyl)butanoyl)oxy)acetoxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate |
|---|---|
| IUPAC Name | (8R,9S,13S,14S,17S)-17-(2-((4-(4-(bis(2-chloroethyl)amino)phenyl)butanoyl)oxy)acetoxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate |
| Molecular Formula | C41H47Cl2NO6 |
| Molecular Weight | 720.73 |
| SMILES | C[C@]12CC[C@@H]3C4=C(C=C(OC(=O)C5=CC=CC=C5)C=C4)CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCC1=CC=C(N(CCCl)CCCl)C=C1 |
| InChI Key | IFJUINDAXYAPTO-UUBSBJJBSA-N |
| Synonym | bestrabucil;Estra-1,3,5(10)-triene-3,17β-diol 3-benzoate 17-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate;KM-2210;Bestrabucil (KM2210);Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate];Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3-benzoate17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate] |
| CAS No. | 75219-46-4 |
Synthetic Route by SureRoute
2. ACEELO338 Molecular Building Block Synthetic Route
(8R,9S,13S,14S,17S)-17-(butyryloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate
(8R,9S,13S,14S,15R,16R,17S)-3-(benzyloxy)-15,16-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl dipropionate