(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione
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![(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0981e686298045c3b9c02fe8a0ca8a8d.png "(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione")
(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione
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CAS No:
53716-43-1
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Formula:
C37H42N2O7
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Chemical Name:
(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione
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Synonyms:
Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]-,(11β)-;Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[[[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]-,(11β)-;(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione;AF 2071;Bendacort
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CAS No:
(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione Basic Attributes
626.73858
626.74
258-710-3
EF5DH3EFH5
Characteristics
128
5.6
1.1734 (rough estimate)
175°C
Flammable; burning produces toxic nitrogen oxide fumes
Computed Properties
Molecular Weight:626.7
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:626.29920168
Monoisotopic Mass:626.29920168
Topological Polar Surface Area:128
Heavy Atom Count:46
Complexity:1230
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(11β)-11,17-Dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]pregn-4-ene-3,20-dione
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