Bioactive Compound Details

BioIDbio139759
NameBETAMETHASONE SODIUM PHOSPHATE
ChEMBL IDCHEMBL1200762
Molecular FormulaC22H28FNa2O8P
Molecular Weight516.41
Molecular Weight (Monoisotopic)472.1662
TypeSmall molecule
Max PhasePhase 4
Target IDTar87
Target NameNone
SynonymsBETAM-OPHTAL|BETAMETHASONE 21-PHOSPHATE DISODIUM SALT|BETAMETHASONE DISODIUM PHOSPHATE|BETAMETHASONE SODIUM PHOSPHATE|BETNESOL|BETNESOL-N|CELESTONE|NSC-90616|VISTAMETHASONE|VISTAMETHASONE N
SmilesC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]
InchiInChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1
Inchi KeyPLCQGRYPOISRTQ-LWCNAHDDSA-L
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score2.02
Records Key['SID144212784', 'BETAMETHASONE SODIUM PHOSPHATE', 'BETAMETHASONE SODIUM PHOSPHATE', 'BETAMETHASONE SODIUM PHOSPHATE', 'BETAMETHASONE SODIUM PHOSPHATE']
Records Name['SID144212784', 'BETAMETHASONE SODIUM PHOSPHATE', 'BETAMETHASONE SODIUM PHOSPHATE', 'BETAMETHASONE SODIUM PHOSPHATE', 'BETAMETHASONE SODIUM PHOSPHATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure