N-Benzyladriamycin
[CAS# 70878-56-7]

Identification

• Name: N-Benzyladriamycin
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-(Benzylamino)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-7-[[(2R,4S,5S,6S)-4-(Benzylamino)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-7-[(2R,4S,5S,6S)-4-(Benzylamino)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Glycoloyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₃₄H₃₆ClNO₁₁
• Molecular Weight: 670.11
• CAS Registry Number: 70878-56-7
• SMILES: [C@H]3(O[C@@H]2O[C@H]([C@@H](O)[C@@H](NCC1=CC=CC=C1)C2)C)C[C@@](O)(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)C(=O)CO.[H+].[Cl-]
• InChI: 1S/C34H35NO11.ClH/c1-16-29(38)20(35-14-17-7-4-3-5-8-17)11-24(45-16)46-22-13-34(43,23(37)15-36)12-19-26(22)33(42)28-27(31(19)40)30(39)18-9-6-10-21(44-2)25(18)32(28)41;/h3-10,16,20,22,24,29,35-36,38,40,42-43H,11-15H2,1-2H3;1H/t16-,20-,22-,24-,29+,34-;/m0./s1
• InChIKey: UEXVZJBBJFUYQV-KYSSLBBXSA-N