Utonex

(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;N-[3-(5-nitrofuran-2-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-6-yl]acetamide

Also Known As: Utonex|(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;N-[3-(5-nitrofuran-2-yl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-6-yl]acetamide|19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-, mixt. with N-(3,4-dihydro-3-(5-nitro-2-furanyl)-2H-1,2,4-benzothiadiazin-6-yl)acetamide S,S-dioxide|(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; N-[3-(5-nitrofuran-2-yl)-1,1-dioxo-3,4-dihydro-2H-1|N-[3-(5-Nitrofuran-2-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-6-yl]ethanimidic acid--(17xi)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1)|N-[3-(5-Nitrofuran-2-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-6-yl]ethanimidic acid--19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1)

Molecular Formula	C33H36N4O8S
Molecular Weight	648.2254 g/mol
LogP	5.1614
Topological Polar Surface Area	195.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	648.2254
Monoisotopic Mass	648.2254
Heavy Atoms	46
Complexity	1120.0

Chemical Identifiers

CAS Number	78920-52-2
SMILES	CC(=O)NC1=CC2=C(C=C1)S(=O)(=O)NC(N2)C3=CC=C(O3)[N+](=O)[O-].C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
InChIKey	XYYCDDMINWATHW-ZQISRJICSA-N