IUPAC name
(1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxy-17-methylidenetetracyclo[8.7.0.0²,
SMILES
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
Compound class
Contraceptive Agents, Female; Contraceptive Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Progestogens; Hormonal Contraceptives for Systemic Use; CYP3A4 Inhibitors;
Therapeutic area
For use as a female contraceptive (depot).
Common name
Etonogestrel
IUPAC name
(1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxy-17-methylidenetetracyclo[8.7.0.0²,
SMILES
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
INCHI
InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
FORMULA
C22H28O2
Common name
Etonogestrel
IUPAC name
(1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxy-17-methylidenetetracyclo[8.7.0.0²,
Molecular weight
324.457
clogP
4.541
clogS
-3.953
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
37.3
Number of Rings
4
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00662 | (8S,9S,10R,13S,14S,17S)-17-hydroxy-11-methylene-2,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
|
O=C1CCC2C3C(C4C(C(CC4)O)CC3=C)CCC2=C1 | 0.0003 |
