Ethinyl estradiol; norgestrel
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Molecular Identity
Ethinyl estradiol; norgestrel
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
PubChem CID: 24706
2D Structure
Properties
C41H52O4
Molecular Formula
608.80
Molecular Weight
g/mol
608.3866
Exact Mass
Da
77.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OIsomeric SMILES
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OSynonyms(20)
LO/OvralCRYSELLELOW-OGESTREL-21LOW-OGESTREL-28LO/OVRAL-28OVRAL-28OGESTREL 0.5/50-21OGESTREL 0.5/50-28ElinestTURQOZRefChem:55159Ethinyl estradiol; norgestrelethinylestradiol & levonorgestrelETHINYL ESTRADIOL/NORGESTRELETHINYL ESTRADIOL;NORGESTREL
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ethinyl estradiol; norgestrel
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