Structure Database (LMSD)

Common Name
medroxyprogesterone
Systematic Name
(6α)-17-hydroxy-6-methylpregn-4-ene-3,20-dione
Synonyms
  • 17-Hydroxy-6alpha-methyl-pregn-4-ene-3,20-dione
  • 17-Hydroxy-6alpha-methylprogesterone
  • 17alpha-Hydroxy-6alpha-methylprogesterone
  • 6alpha-Methyl-17alpha-hydroxyprogesterone
  • 6alpha-Methyl-4-pregnen-17alpha-ol-3,20-dione
  • Medroxyprogesteron
LM ID
LMST02030176
Formula
C22H32O3
Exact Mass
Calculate m/z
344.235145
Sum Composition
ST 22:3;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
[Clinical & experimental research on a new progestational compound: 6 alpha-methyl-17 alpha-hydroxyprogesterone acetate (farlutal)].,
Riv Ostet Ginecol Prat, 1959
Pubmed ID: 13675725

String Representations

InChiKey (Click to copy)
FRQMUZJSZHZSGN-HBNHAYAOSA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
SMILES (Click to copy)
C1C[C@@](C(=O)C)(O)[C@@]2(C)CC[C@]3([H])[C@@]4(C)CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@@]21[H]

Other Databases

Wikipedia
medroxyprogesterone
KEGG ID
C07119
HMDB ID
HMDB0001939
CHEBI ID
6715
PubChem CID
10631
Cayman ID
24908
GuidePharm ID
2879

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 358.17
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.37
Molar Refractivity 97.40

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Updated at
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