Account (11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester
- Catalog No. :
- ACRZXU654
- CAS No. :
- 82034-46-6
- Molecular Formula :
- C24H31ClO7
- Molecular Weight :
- 466.96
IUPAC Name:chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylate
![(11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-Androsta-1,4-diene-17-carboxylic acid chloromethyl ester |
|---|---|
| IUPAC Name | chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylate |
| MDL No. | MFCD00870765 |
| Molecular Formula | C24H31ClO7 |
| Molecular Weight | 466.96 |
| SMILES | CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C |
| InChI Key | DMKSVUSAATWOCU-HROMYWEYSA-N |
| Synonym | HGP 1 | (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride | BEDAQUILINE [INN] | Chloromethyl 11beta,17-dihydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylate, |
| CAS No. | 82034-46-6 |
| PubChem CID | 444025 |
Synthetic Route by SureRoute
2. ACRZXU654 Molecular Building Block Synthetic Route
(8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid
chloromethyl (8S,9S,10R,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-10,13-dimethyl-3,11-dioxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylate
ethyl (8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dichloroacetoxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylate