CAS 139402-18-9 is the registry number for Alestramustine. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-aminopropanoate (CAS 139402-18-9) is a chemical compound with the molecular formula C26H36Cl2N2O4 and a molecular weight of 511.5 g/mol. IUPAC name: [(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-aminopropanoate. InChIKey: NRUFLTXGIPFVSH-KBVRNWHJSA-N.
| Molecular formula | C26H36Cl2N2O4 |
|---|---|
| Molecular weight | 511.5 g/mol |
| IUPAC name | [(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-aminopropanoate |
| InChIKey | NRUFLTXGIPFVSH-KBVRNWHJSA-N |
| SMILES | C[C@@H](C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl)C)N |
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