API0232300
Triamcinolone
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CAS No.
124-94-7
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Synonyms
triamcinolone; 124-94-7; Fluoxyprednisolone
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CHEMBL ID
CHEMBL1451
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Molecule Type
Small molecule
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Compound CID
31307
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Molecular Weight (g/mol)
394.4
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Molecular Formula
C21H27FO6
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InChI
InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
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InChIKey
GFNANZIMVAIWHM-OBYCQNJPSA-N
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SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O
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IUPAC Name
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
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Exact Mass (Da)
394.17916674
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Monoisotopic Mass (Da)
394.17916674
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