flunisolide

bis((1S,4R,8S,9S,11S,12S,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one);hydrate

Also Known As: flunisolide|Nasalide|Aerobid|Nasarel|CAFFEINE ANHYDROUS|AC1L1FC3|AC1Q6AC0|Flunisolide [USAN:BAN:INN:JAN]|flunisolide hemihydrate, (6alpha,11beta,16alpha)-isomer|(4bS,5S,6aS,6bS,9aR,10bS,12S)-12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one--water (2/1)|(4bs,5s,6as,6bs,9ar,10bs,12s)-12-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one hydrate(2:1)|12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one--water (2/1)|6alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone, hemihydrate|Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-((1-methylethylidene)bis(oxy))-, hemihydrate, (6alpha,11beta,16alpha)-

Molecular Formula	C48H64F2O13
Molecular Weight	886.4315 g/mol
LogP	3.72
Topological Polar Surface Area	217.62 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	4
Exact Mass	886.4315
Heavy Atoms	63
Complexity	1967.8

Chemical Identifiers

CAS Number	77326-96-6
SMILES	C[C@]12C[C@@H]([C@H]3[C@H](C1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=CC35C)F)O.C[C@]12C[C@@H]([C@H]3[C@H](C1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=CC35C)F)O.O