Ethinyl estradiol; norgestrel
Basic information
- CAS
39366-37-5- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C- InChIKey
ORKBYCQJWQBPFG-WOMZHKBXSA-N- Molecular formula
- C41H52O4
- Average molar mass
- 608.8 g/mol
- Monoisotopic mass
- 608.38656014
Overview
Ethinyl Estradiol/Levonorgestrel is a combination of two steroid sex hormones, an estrogen and a progestin, used for contraceptive purposes. Estradiol, the endogenous counterpart of ethinyl estradiol (EE), is the principal, most potent estrogen hormone produced by the ovaries and is vital to the maintenance of fertility and secondary sexual characteristics in females. Levonorgestrel is a synthetic progestogen. This drug combination prevents or delays ovulation and causes a variety of hormonal changes. Ethinyl estradiol inhibits the release of follicle stimulating hormone (FSH), thus suppressing the development of ovarian follicle; levonorgestrel inhibits the release of luteinizing hormone (LH), thus preventing ovulation. This combination of agents alters the endometrium in such a way as to discourage implantation. (NCI04)
Names & identifiers
- Preferred name
- Ethinyl estradiol; norgestrel
- IUPAC
- (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
- English name
- Levonorgestral
- Molecular formula
- C41H52O4
- Molecular weight
- 608.86
Names & synonyms
LO/OvralCRYSELLELOW-OGESTREL-21LOW-OGESTREL-28LO/OVRAL-28OVRAL-28OGESTREL 0.5/50-21OGESTREL 0.5/50-28ElinestTURQOZRefChem:55159Ethinyl estradiol; norgestrel
Show more names
OvralAdepalD019304AnteovinContraceptive, pearl oralEthinyl Estradiol-Norgestrel CombinationEstradiol-norgestrel combination, ethinylEstradiol combination, norgestrel-ethinylCombination, norgestrel-ethinyl estradiolCombination, ethinyl estradiol-norgestrel
ethinylestradiol & levonorgestrelETHINYL ESTRADIOL/NORGESTRELETHINYL ESTRADIOL;NORGESTRELNORGESTREL/ETHINYL ESTRADIOLNORGESTREL;ETHINYL ESTRADIOLETHINYL ESTRADIOL / NORGESTRELNORGESTREL / ETHINYL ESTRADIOLethinylestradiol + levonorgestrel
Database identifiers
- CAS
39366-37-5、8056-51-7- PubChem CID
- 24706
- DTXSID
DTXSID90192569
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,110
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
Oral hormonal contraceptives
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in rat: > 5gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: > 5gm/kg
Chemistry & industry
Pharmacology
ATC CodeG03AA07
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Compound notes
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