API0233246
Ethinyl Estradiol
Ethchlorvynol is a sedative hypnotic.
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CAS No.
57-63-6
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Synonyms
ethinyl estradiol; Ethynylestradiol; 57-63-6
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CHEMBL ID
CHEMBL691
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Molecule Type
Small molecule
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Compound CID
5991
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Molecular Weight (g/mol)
296.4
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Molecular Formula
C20H24O2
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InChI
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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InChIKey
BFPYWIDHMRZLRN-SLHNCBLASA-N
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SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
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IUPAC Name
(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
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Exact Mass (Da)
296.177630004
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Monoisotopic Mass (Da)
296.177630004
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