D6-25-HYDROXYVITAMIN D3

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 378HY809HV

Structure
InChI Key JWUBBDSIWDLEOM-QFVHMXLQSA-N
Smile [2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@@]21C)C([2H])([2H])[2H]
InChI
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i3D3,4D3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H44O2
Molecular Weight 406.68
AlogP 6.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Reference
Kidney Diseases; Renal Insufficiency, Chronic Phase 1 ClinicalTrials
Cystic Fibrosis; Fibrosis Phase 1 ClinicalTrials
Kidney Diseases; Renal Insufficiency, Chronic Phase 1 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594399
EPA CompTox DTXSID20735347
FDA SRS 378HY809HV
PubChem 66577010
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