Basic information
- CAS
88873-29-4- 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@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
RQFMPXMLRRPOJH-ORADRBJOSA-N- Molecular formula
- C39H52O4
- Average molar mass
- 584.8 g/mol
- Monoisotopic mass
- 584.38656014
Overview
See also: Estradiol (has component); Levonorgestrel (has component).
Names & identifiers
- Preferred name
- Estradiol; levonorgestrel
- 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,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
Climara ProEstradiol / levonorgestrelEstradiol/levonorgestrelRefChem:59131Estradiol; levonorgestrelESTRADIOL;LEVONORGESTRELClimaraproFem7 CombLevonorgestrel / Estradiol88873-29-4SCHEMBL8074705
Database identifiers
- CAS
88873-29-4- PubChem CID
- 9873129
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 990
Experimental & physicochemical properties
Human DrugsFDA approved drugs -> Active ingredient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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