Diaminobutyryldaunomycin
Molecular Formula:
C31H37ClN3NaO11
InChI: InChI=1/C31H37N3O11.ClH.Na/c1-12-25(36)17(34-30(41)16(33)7-8-32)9-20(44-12)45-19-11-31(42,13(2)35)10-15-22(19)29(40)24-23(27(15)38)26(37)14-5-4-6-18(43-3)21(14)28(24)39;;/h4-6,12,16-17,19-20,25,36,38,40,42H,7-11,32-33H2,1-3H3,(H,34,41);1H;/q;;+1/p-1/t12u,16?,17?,19-,20?,25?,31-;;/m0../s1/fC31H37N3O11.Cl.Na/h34H;1h;/q;-1;m
InChIKey: InChIKey=HHPKACMRFLEARL-OUFTYHOFDG
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)C)O)NC(=O)C(CCN)N)O.[Na+].[Cl-]
Names:
Diaminobutyryldaunomycin
NSC332580
sodium N-[6-[[(1S,3R)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]-2,4-diamino-butanamide chloride
Registries:
PubChem CID 332956
PubChem ID 8141265
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