|
| ID |
DDInter681 |
| Drug Type |
small molecule |
| Molecular Formula |
C23H31Cl2No3 |
| Molecular Weight |
440.411
|
| Description |
Estramustine is an antineoplastic agent used for the management of metastatic and/or progressive prostate cancer in palliative setting.
|
| ATC Classification |
L01XX11
|
| IUPAC Name |
(1S,10R,11S,14S,15S)-14-Hydroxy-15-Methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadeca-2,4,6-Trien-5-Yl N,N-Bis(2-Chloroethyl)Carbamate |
| 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 |
| InChI Key |
FRPJXPJMRWBBIH-RBRWEJTLSA-N |
| Canonical SMILES |
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] |
| Useful Links |
DrugBank
ChEMBL
PubChem
|