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
3D model of Hydrocortisone succinate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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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