Turisteron
Basic information
- CAS
28913-23-7- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OS(=O)(=O)C(C)C)ccc4[C@H]3CC[C@@]21C- InChIKey
KPEUDULLQDHKAZ-VROINQGHSA-N- Molecular formula
- C23H30O4S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.18648061
Overview
Ethinylestradiol sulfonate is a steroid. It derives from a hydride of an estrane.
Names & identifiers
- Preferred name
- Turisteron
- IUPAC
- [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] propane-2-sulfonate
- English name
- 17 alpha-ethinyl-3-isopropylsulfonyloxyestradiol
- Molecular formula
- C23H30O4S
- Molecular weight
- 0
Names & synonyms
Turisteronethinylestradiol sulfonate28913-23-7XF48685MYREthinylestradiol propanesulfonate17alpha-Ethinyl-3-isopropylsulfonyloxyestradiol[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] propane-2-sulfonateUNII-XF48685MYRDTXSID20951545Turisteron (TN)Ethinyl estradiol isopropylsulfonateSCHEMBL457480
Show more names
J-96Reaxys ID: 2679201Ethynylestradiol 3-isopropylsulfonate17 alpha-ethinyl-3-isopropylsulfonyloxyestradiol17α-Ethinylestra-3,17β-diol-3-isopropylsulphonat17-Ethynyl-17β-estradiol 3-(1-methylethanesulfonate)3-(Isopropylsulfonyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-17α-ol(17R)-3-(Isopropylsulfonyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
CHEBI:13564319-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 3-(2-propanesulfonate), (17alpha)-ETHINYL ESTRADIOL 3-ISOPROPYLSULFONATED07928ETHINYLESTRADIOL PROPANE SULFONATE [WHO-DD]Q2729381317-Hydroxy-17alpha-19-norpregna-1,3,5(10)-trien-20-yn-3-yl propane-2-sulfonate19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 3-(2-PROPANESULFONATE)
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 759
Physicochemical properties
- FDA UNII
- 48685 MYR · XF48685MYR
Chemistry & industry
Additional notes
DefinitionChEBI: Ethinylestradiol sulfonate is a steroid. It derives from a hydride of an estrane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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