estramustine (emcyt) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

520.39

ALogP

5.3

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O
  • InChIKey: ADFOJJHRTBFFOF-RBRWEJTLSA-N
    InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1756   ChEMBL
estramustine phosphate *

CHEMBL1200721   ChEMBL
estramustine phosphate sodium

CHEMBL1575   ChEMBL
estramustine

35LT29625A   NCATS
estramustine *

Estramustine   Wikipedia

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