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Substance Name: Cororubicin
RN: 160605-92-5
InChIKey: MSWPFMVQHLUEJE-UHFFFAOYSA-N

Note

  • Generates superoxide radicals in tumor cells.

Molecular Weight

  • 1003.01
 
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Names and Synonyms

Name of Substance

  • Cororubicin

Systematic Name

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 5-((O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 160605-92-5

System Generated Number

  • 0160605925

Structure Descriptors

InChI

1S/C48H62N2O21/c1-17-35(54)25(52)14-27(64-17)68-42-19(3)66-29(16-46(42,4)50(61)62)67-40-18(2)65-28(15-26(40)53)69-43-34(49(7)8)39(58)45-70-41-23(48(43,6)71-45)13-24(51)31-32(41)37(56)22-12-21-20(36(55)30(22)38(31)57)10-11-47(5,60)33(21)44(59)63-9/h12-13,17-19,25-29,33-35,39-40,42-43,45,51-55,58,60H,10-11,14-16H2,1-9H3

InChIKey

MSWPFMVQHLUEJE-UHFFFAOYSA-N

Smiles

O[C@@H]1[C@@H](N(C)C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)C4)[C@@](C)([N+]([O-])=O)C3)[C@@H](O)C2)[C@@]2(O[C@@H]1Oc1c2cc(O)c2c1C(=O)c1cc3[C@@H](C(=O)OC)[C@@](C)(O)CCc3c(O)c1C2=O)C