Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, hydrate (2:3), (11β,16α)-
CAS Registry Number®
460732-11-0
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CAS Name
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, hydrate (2:3), (11β,16α)-Molecular Formula
C24H31FO6.3/2H2OCite this Page
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, hydrate (2:3), (11β,16α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=460732-11-0 (retrieved ) (CAS RN: 460732-11-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H31FO6.H2O/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26;/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3;1H2/t13-,17+,18+,19+,21+,22+,23+,24+;/m1./s1
InChIKey
InChIKey=DPHFJXVKASDMBW-RQRKFSSASA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(COC(C)=O)=O)O)[H].O
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C.O
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, hydrate (2:3), (11β,16α)-
- Dexamethasone acetate sesquihydrate
