Daunomycinone derivative
Molecular Formula:
C28H32ClN3O10
InChI: InChI=1/C28H31N3O10.ClH/c1-11-23(33)15(29)7-18(40-11)41-17-9-28(38,12(2)31-30-10-32)8-14-20(17)27(37)22-21(25(14)35)24(34)13-5-4-6-16(39-3)19(13)26(22)36;/h4-6,10-11,15,17-18,23,33,35,37-38H,7-9,29H2,1-3H3,(H,30,32);1H/b31-12+;/t11u,15?,17-,18?,23?,28-;/m0./s1/fC28H32N3O10.Cl/h29-30H;1h/q+1;-1
InChIKey: InChIKey=VZYRBUSRSMPWND-SXGVBRMEDU
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)C)O)[NH3+])O.[Cl-]
Names:
Daunomycinone derivative
NSC180511
[6-[[(1S,3R)-3-(N-formamido-C-methyl-carbonimidoyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]azanium chloride
Registries:
PubChem CID 9601203
PubChem ID 8140513
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