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Estramustine · CAS 2998-57-4 · C23H31Cl2NO3. UNII NS00004873.
| CAS Registry Number | 2998-57-4 |
|---|---|
| PubChem CID | 18140 |
| Molecular formula | C23H31Cl2NO3 |
| IUPAC name | (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate |
| UNII (FDA) | NS00004873 |
| Molecular Weight | 440.4 |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 439.1680992 |
| Monoisotopic Mass | 439.1680992 |
| Topological Polar Surface Area | 49.8 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
C23H31Cl2NO3; NSC 89201; MLS002701936; 17.beta.-Estradiol 3-(bis(2-chloroethyl)carbamate); CHEMBL290686; SCHEMBL14031683; SCHEMBL29349776; FRPJXPJMRWBBIH-UHFFFAOYSA-N; SMR001565519; NS00004873; Estradiol {3-[bis(2-chloroethyl)carbamate]}; Estradiol, {3-[bis(2-chloroethyl)carbamate]}; 17.Beta.-Estradiol {3-[bis(2-chloroethyl)carbamate]}; 17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate; 17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate, (17.beta.)-; Carbamic acid, bis(2-chloroethyl)-, 17.beta.-hydroxyestra-1,3,5(10)-trien-3-yl ester
CAS 2998-57-4; molecular formula C23H31Cl2NO3; molecular weight — g/mol.
C23H31Cl2NO3, NSC 89201, MLS002701936, 17.beta.-Estradiol 3-(bis(2-chloroethyl)carbamate), CHEMBL290686, SCHEMBL14031683.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.