
API0232279
Estrone
Estramustine Phosphate Sodium is an anticancer drug.
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CAS No.
53-16-7
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Synonyms
estrone; folliculin; Thelykinin
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CHEMBL ID
CHEMBL1405
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Indications
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Molecule Type
Small molecule
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Compound CID
5870
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Molecular Weight (g/mol)
270.4
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Molecular Formula
C18H22O2
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InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
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InChIKey
DNXHEGUUPJUMQT-CBZIJGRNSA-N
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SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
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IUPAC Name
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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Exact Mass (Da)
270.16197994
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Monoisotopic Mass (Da)
270.16197994
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