Fluodexan

[2-[(4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-[[4-[2-[(4S,8S,9S,11R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyl-3-methoxynaphthalen-2-yl]methyl]-2-methoxynaphthalene-1-carboxylate;urea

Also Known As: Fluodexan|[2-[(4S,8S,9S,11R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-[[4-[2-[(4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyl-3-methoxynaphthalen-2-yl]methyl]-2-methoxynaphthalene-1-carboxylate;urea|Pregna-1,4-diene-3,20-dione, 21,21'-(methylenebis((2-methoxy-1,3-naphthalenediyl)carbonyloxy))bis(9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-(11'beta,16'alpha)-, mixt. with urea

Molecular Formula	C74H82F2N2O17
Molecular Weight	1308.5581 g/mol
LogP	9.8186
Topological Polar Surface Area	286.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	19
Rotatable Bonds	14
Exact Mass	1308.5581
Monoisotopic Mass	1308.5581
Heavy Atoms	95
Complexity	3000.0

Chemical Identifiers

CAS Number	95017-33-7
SMILES	C[C@]12C[C@H](C3(C(C1C[C@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)C5=C(C(=CC6=CC=CC=C65)CC7=CC8=CC=CC=C8C(=C7OC)C(=O)OCC(=O)[C@@]91[C@H](CC2[C@@]9(C[C@@H](C4(C2CCC2=CC(=O)C=C[C@@]24C)F)O)C)OC(O1)(C)C)OC)CCC1=CC(=O)C=C[C@@]13C)F)O.C(=O)(N)N
InChIKey	WPXPUZHOTNEMEG-AKIVQBQCSA-N