(7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-5-[[2,6-bis(fluoranyl)phenyl]methoxy]-6-methyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Systemtic Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-5-[[2,6-bis(fluoranyl)phenyl]methoxy]-6-methyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-[(2,6-difluorophenyl)methoxy]-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride CAS Name: (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-[(2,6-difluorophenyl)methoxy]-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-[(2,6-difluorophenyl)methoxy]-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-(2,6-difluorobenzyl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone hydrochloride Formula: C34H34ClF2NO11 MolecularWeight: 706.083666

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)OCC6=C(C=CC=C6F)F.Cl

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)OCC6=C(C=CC=C6F)F.Cl

InChI

InChI=1S/C34H33F2NO11.ClH/c1-14-33(46-13-17-18(35)6-4-7-19(17)36)20(37)9-24(47-14)48-22-11-34(44,23(39)12-38)10-16-26(22)32(43)28-27(30(16)41)29(40)15-5-3-8-21(45-2)25(15)31(28)42;/h3-8,14,20,22,24,33,38,41,43-44H,9-13,37H2,1-2H3;1H/t14-,20-,22-,24-,33+,34-;/m0./s1