doxercalciferol (hectorol) Report issue

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

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Chemistry

Mol. Mass

412.6478

ALogP

6.61

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C3/C[C@@H](O)C[C@H](O)C3=C
  • InChIKey: HKXBNHCUPKIYDM-CGMHZMFXSA-N
    1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1200810   ChEMBL
doxercalciferol

3DIZ9LF5Y9   NCATS
doxercalciferol *

Doxercalciferol   Wikipedia

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