Structure Database (LMSD)

Common Name
Hydrocortisone succinate
Systematic Name
11β,17α,21-trihydroxypregn-4-ene-3,20-dione 21-succinate
Synonyms
LM ID
LMST02030126
Formula
Exact Mass
Calculate m/z
462.22537
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
VWQWXZAWFPZJDA-CGVGKPPMSA-N
InChi (Click to copy)
InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
SMILES (Click to copy)
[C@]12(CC[C@]([C@@]1(C)C[C@H](O)[C@]1([C@]2(CCC2=CC(CC[C@]12C)=O)[H])[H])(O)C(=O)COC(=O)CCC(O)=O)[H]

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 448.74
Topological Polar Surface Area 138.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 3.05
Molar Refractivity 117.40

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Created at
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Updated at
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