Alestramustine

cas: 139402-18-9 — see every product listed under this CAS number, including other names

Alestramustine (CAS 139402-18-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas139402-18-9
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Structural formula: {0} (CAS {1})

[(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.

Identity
Molecular formulaC26H36Cl2N2O4
Molecular weight511.5 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
InChIKeyNRUFLTXGIPFVSH-KBVRNWHJSA-N
SMILESC[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

Computed by PubChem (NCBI)

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