ergocalciferol (drisdol) Report issue

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

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Chemistry

Mol. Mass

396.6484

ALogP

7.64

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)CCC3=C
  • InChIKey: MECHNRXZTMCUDQ-RKHKHRCZSA-N
    1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1536   ChEMBL
ergocalciferol

VS041H42XC   NCATS
ergocalciferol *

Ergocalciferol   Wikipedia

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