Bioactive Compound Details

BioIDbio139751
NameHYDROCORTISONE SODIUM PHOSPHATE
ChEMBL IDCHEMBL1200968
Molecular FormulaC21H29Na2O8P
Molecular Weight486.41
Molecular Weight (Monoisotopic)442.1757
TypeSmall molecule
Max PhasePhase 4
Target IDTar87
Target NameNone
SynonymsCORTISOL 21-(DISODIUM PHOSPHATE)|EFCORTESOL|HYDROCORTISONE SODIUM PHOSPHATE|HYDROCORTONE
SmilesC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]
InchiInChI=1S/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
Inchi KeyRYJIRNNXCHOUTQ-OJJGEMKLSA-L
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.19
Records Key['HYDROCORTISONE SODIUM PHOSPHATE', 'HYDROCORTISONE SODIUM PHOSPHATE', 'SID144206021', 'HYDROCORTISONE SODIUM PHOSPHATE']
Records Name['HYDROCORTISONE SODIUM PHOSPHATE', 'HYDROCORTISONE SODIUM PHOSPHATE', 'SID144206021', 'HYDROCORTISONE SODIUM PHOSPHATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure