(7S,9S)-9-(1-hydroxyethyl)-4-methoxy-7-(6-methyl-5-oxidanyl-4-piperidin-1-yl-oxan-2-yl)oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Systemtic Name: (7S,9S)-9-(1-hydroxyethyl)-4-methoxy-7-(6-methyl-5-oxidanyl-4-piperidin-1-yl-oxan-2-yl)oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (7S,9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[5-hydroxy-6-methyl-4-(1-piperidyl)tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride CAS Name: (7S,9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[[5-hydroxy-6-methyl-4-(1-piperidinyl)-2-oxanyl]oxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride IUPAC Name: (7S,9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-(5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (7S,9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-(5-hydroxy-6-methyl-4-piperidino-tetrahydropyran-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone hydrochloride Formula: C32H40ClNO10 MolecularWeight: 634.1137

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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(C)O)O)N6CCCCC6)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(C)O)O)N6CCCCC6)O.Cl

InChI

InChI=1S/C32H39NO10.ClH/c1-15-27(35)19(33-10-5-4-6-11-33)12-22(42-15)43-21-14-32(40,16(2)34)13-18-24(21)31(39)26-25(29(18)37)28(36)17-8-7-9-20(41-3)23(17)30(26)38;/h7-9,15-16,19,21-22,27,34-35,37,39-40H,4-6,10-14H2,1-3H3;1H/t15?,16?,19?,21-,22?,27?,32-;/m0./s1