MARVELON

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key MXBCYQUALCBQIJ-RYVPXURESA-N
Smile C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C
InChI
InChI=1S/C22H30O.C20H24O2/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t17-,18-,19-,20+,21-,22-;16-,17-,18+,19+,20+/m01/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H54O3
Molecular Weight 606.89
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Premenstrual Syndrome 2 D011293 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1697756
EPA CompTox DTXSID20221336
SureChEMBL SCHEMBL1649231
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