Compound ID | 1333

Update compound information

Doxercalciferol

Spectrum of activity: Gram-positive
Description: Vitamin D analogue
Institute where first reported: Center for Oral Biology, University of Rochester School of Medicine and Dentistry, Rochester, New York, USA
Highest developmental phase: Preclinical
Chemical structure(s):
Click here for structure editor
Molecular weight: 412.65
Iso. SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
InChI Key: HKXBNHCUPKIYDM-UPCVMKIUSA-N
Can. SMILES: CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)CCC[C@]12C
InChI: InChI=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
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/5281107
Citations:
  • https://www.drugbank.ca/drugs/DB11094
  • https://aac.asm.org/content/62/1/e01675-17

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