N-[(E)-1-[(2S,4S)-4-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide hydrochloride

Systemtic Name: N-[(E)-1-[(2S,4S)-4-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide hydrochloride Openeye Name: N-[(E)-1-[(2S,4S)-4-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide hydrochloride CAS Name: N-[(E)-1-[(2S,4S)-4-[[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide hydrochloride IUPAC Name: N-[(E)-1-[(2S,4S)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide hydrochloride Traditional Name: N-[(E)-1-[(2S,4S)-4-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide hydrochloride Formula: C36H40ClN3O10 MolecularWeight: 710.1699

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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(=NNC(=O)C6=CC=CC=C6)C)O)N(C)C)O.Cl

Isomeric SMILES

CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(/C(=N/NC(=O)C6=CC=CC=C6)/C)O)N(C)C)O.Cl

InChI

InChI=1S/C36H39N3O10.ClH/c1-17-30(40)22(39(3)4)14-25(48-17)49-24-16-36(46,18(2)37-38-35(45)19-10-7-6-8-11-19)15-21-27(24)34(44)29-28(32(21)42)31(41)20-12-9-13-23(47-5)26(20)33(29)43;/h6-13,17,22,24-25,30,40,42,44,46H,14-16H2,1-5H3,(H,38,45);1H/b37-18+;/t17?,22?,24-,25?,30?,36-;/m0./s1