LIPID MAPS

Structure Database (LMSD)

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Common Name

Megestrol acetate

Systematic Name

17α-hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate

Synonyms

LM ID

LMST02030118

Formula

C₂₄H₃₂O₄

Exact Mass

Calculate m/z

384.23006

Sum Composition

ST 24:5;O4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

RQZAXGRLVPAYTJ-GQFGMJRRSA-N

InChi (Click to copy)

InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1

SMILES (Click to copy)

[C@]1(C(=O)C)(OC(=O)C)CC[C@@]2([H])[C@]3([H])C=C(C4=CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O)C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

The oral progestational and anti-ovulatory properties of megestrol acetate and its therapeutic use in gynaecological disorders.,
J Obstet Gynaecol Br Emp, 1965

Pubmed ID: 12332461