Anodyne| Estramustine | |
|---|---|
 | |
| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C23H31Cl2NO3[1] |
| Molecular mass | 440.4 g/mol[1] |
| Predicted LogP | 4[1] |
| Melting point | 104.5 °C[1] |
| Solubility | 3.85e-04 g/L[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| IUPAC name | [(8R,9S,13S,14S,17S)-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[1] |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl[1] |
| InChI | InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1[1] |
| InChIKey | FRPJXPJMRWBBIH-RBRWEJTLSA-N[1] |
| Dosing |
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Estramustine
Estramustine (also known as Estramustinum, Estramustina, Estradiol 3-(N,N-bis(2-chloroethyl)carbamate), 17β-Estradiol 3-(bis(2-chloroethyl)carbamate), Estradiol 3-[bis(2-chloroethyl)carbamate], RO 21-8837, Ro 22-2296/000, Estradiol 3-(bis(2-chloroethyl)carbamate), Ro-222296000 or Ro-22-2296000)
Chemistry
Stereochemistry
Estramustine is a absolute mixture