Structure Database (LMSD)
Common Name
Hydrocortisone cypionate
Systematic Name
17-(3-cyclopentyl-1-propionyl)-11β,17α,21-trihydroxypregn-4-ene-3,20-dione
Synonyms
LM ID
LMST02030121
Formula
Exact Mass
Calculate m/z
486.29814
Sum Composition
Status
Active
3D model of Hydrocortisone cypionate
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)
DLVOSEUFIRPIRM-KAQKJVHQSA-N
InChi (Click to copy)
InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1
SMILES (Click to copy)
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1)O
References
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
5
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
490.64
Topological Polar Surface Area
100.90
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
5.16
Molar Refractivity
131.72
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Created at
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Updated at
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