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
Curated
3D model of Hydrocortisone succinate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
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]
Other Databases
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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