IUPAC name
(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,
SMILES
[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H].[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
Compound class
Therapeutic area
Indicated for use by women for pregnancy prevention.
Common name
Estradiol valerate/Dienogest
IUPAC name
(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,
SMILES
[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H].[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
INCHI
InChI=1S/C23H32O3.C20H25NO2/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2;1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3;12,17-18,23H,2-10H2,1H3/t18-,19-,20+,21+,23+;17-,18+,19+,20-/m11/s1
FORMULA
C43H57NO5
Common name
Estradiol valerate/Dienogest
IUPAC name
(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,
Molecular weight
356.498
clogP
4.850
clogS
-5.117
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
46.53
Number of Rings
4
Rotatable Bond
5
