PREDNISOLONE STEAGLATE

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Synonyms
Status
Molecule Category Free-form
UNII OZQ2XN817F
EPA CompTox DTXSID3023504

Structure

InChI Key RBJROVWIRLFZFC-PNLFXGMVSA-N
Smiles CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C41H64O8
Molecular Weight 684.95
AlogP 7.91
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 21.0
Polar Surface Area 127.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 49.0

Related Entries

Cross References

Resources Reference
ChEBI 135871
ChEMBL CHEMBL2105774
DrugCentral 2249
FDA SRS OZQ2XN817F
PubChem 71206
SureChEMBL SCHEMBL136864
ZINC ZINC000008214445
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