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

Systemtic Name: (7S,9S)-7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-4-methoxy-9-[2-(4-methylpiperazin-1-yl)ethanoyl]-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (7S,9S)-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-[2-(4-methylpiperazin-1-yl)acetyl]-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride CAS Name: (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-9-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride IUPAC Name: (7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-[2-(4-methylpiperazin-1-yl)acetyl]-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (7S,9S)-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-[2-(4-methylpiperazino)acetyl]-8,10-dihydro-7H-tetracene-5,12-quinone hydrochloride Formula: C32H40ClN3O10 MolecularWeight: 662.1271

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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)CN6CCN(CC6)C)O)N)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(=O)CN6CCN(CC6)C)O)N)O.Cl

InChI

InChI=1S/C32H39N3O10.ClH/c1-15-27(37)18(33)11-22(44-15)45-20-13-32(42,21(36)14-35-9-7-34(2)8-10-35)12-17-24(20)31(41)26-25(29(17)39)28(38)16-5-4-6-19(43-3)23(16)30(26)40;/h4-6,15,18,20,22,27,37,39,41-42H,7-14,33H2,1-3H3;1H/t15?,18?,20-,22?,27?,32-;/m0./s1