METHYLPREDNISOLONE ACEPONATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D07AC14
UNII: ET54W9J4U2

Structure
InChI Key DALKLAYLIPSCQL-YPYQNWSCSA-N
Smile CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H36O7
Molecular Weight 472.58
AlogP 3.34
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 106.97
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135762
ChEMBL CHEMBL1697782
DrugBank DB14643
DrugCentral 1769
EPA CompTox DTXSID2023301
FDA SRS ET54W9J4U2
PubChem 63019
SureChEMBL SCHEMBL3466
ZINC ZINC000004213828
CONTENTS