N-(prednisolone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate

Also Known As: Prsaft|N-(Prednisolone-21-succinylaminohexyl)-N'-fluoresceinyl-thiourea|[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexylamino]-4-oxobutanoate|Pregna-1,4-diene-3,20-dione, 21-(4-((6-((((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)amino)hexyl)amino)-1,4-dioxobutoxy)-11,17-dihydroxy-, (11beta)-

Molecular Formula	C52H57N3O12S
Molecular Weight	947.3663 g/mol
LogP	6.5311
Topological Polar Surface Area	230.05 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	13
Rotatable Bonds	14
Exact Mass	947.3663
Monoisotopic Mass	947.3663
Heavy Atoms	68
Complexity	2612.2954

Chemical Identifiers

CAS Number	78232-37-8
SMILES	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)NCCCCCCNC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)O)CCC9=CC(=O)C=C[C@]39C)O