DEXAMETHASONE PHOSPHORIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 2BP70L44PR
EPA CompTox DTXSID2047430

Structure

InChI Key VQODGRNSFPNSQE-CXSFZGCWSA-N
Smiles C[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
InChI
InChI=1S/C22H30FO8P/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)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30FO8P
Molecular Weight 472.45
AlogP 2.01
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 141.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 32.0

Related Entries

Cross References

Resources Reference
ChEBI 68637
ChEMBL CHEMBL1201302
DrugCentral 3920
FDA SRS 2BP70L44PR
PDB 3T5
SureChEMBL SCHEMBL135283
ZINC ZINC000003876071
CONTENTS