Basic information
- Standard SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
NAUDKYVGHCCLOT-LAQCMFAESA-N- Molecular formula
- C40H52O5
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.38147476
Overview
See also: Estradiol (has component).
Names & identifiers
- Preferred name
- Estradiol; Norethindrone Acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;(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
Estradiol and norethindrone acetateAmabelzLopreezaMimveyEtyqaRefChem:58483estradiol/norethindrone acetateEstradiol;Norethindrone AcetateEstradiol; Norethindrone AcetateEstradiol / Norethindrone AcetateNORETHINDRONE ACETATE/ESTRADIOLNORETHINDRONE ACETATE;ESTRADIOL
Show more names
NORETHINDRONE ACETATE / ESTRADIOLestradiol/norethindrone acetate transdermal systemCombiPatch (estradiol/norethindrone acetate transdermal system)Combipatch77728-33-7ActivelleEstracombKliofem
Database identifiers
- CAS
77728-33-7- PubChem CID
- 3045253
- DTXSID
DTXSID00998933
Properties
Computed structural properties
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,080
Experimental & physicochemical properties
Human DrugsFDA approved drugs -> Active ingredient
Related reactions
2 records
Linked notes
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