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CAS 3395-91-3
3-Bromopropionic acid methyl estermethyl 3-bromopropanoate
Codes: (III)169995-23-a, IBAN-014
Application context (from source-drug indications)
ContraceptionDrospirenoneStomatitis, aphthousDrospirenonePremenstrual dysphoric disorderDrospirenonePremenstrual syndromeDrospirenoneDysmenorrhoeaDrospirenoneDepressionDrospirenoneOsteoporosisIbandronate Sodium Hydrate/ColecalciferolOsteoporosisIbandronate Sodium HydratePostmenopausal osteoporosisIbandronate Sodium HydrateHypercalcaemiaIbandronate Sodium HydrateBone injuryIbandronate Sodium HydrateBreast cancerIbandronate Sodium HydrateMetastatic cancerIbandronate Sodium Hydrate
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Drospirenone | Tier C — Watch / trade | - |
| Ibandronate Sodium Hydrate/Colecalciferol | Tier C — Watch / trade | - |
| Ibandronate Sodium Hydrate | Tier C — Watch / trade | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one→(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one→3-Bromopropionic acid methyl ester→Methyl 3-[(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-1b,3,8-trihydroxy-5a,7a-dimethyloctadecahydro-1H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-yl]propanoate→(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-(3-Hydroxypropyl)-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triol→(2R,4R,5R,7S,10R,14S,15S,16S,18S)-5,7-Dihydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.0(2,4).0(5,10).0(14,19).0(16,18)]nonadecane-15,2'-oxolane]-5'-one
Intermediates available on this site
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