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Substance Name: Carminomycin-iron complex
RN: 99684-42-1
InChIKey: ZJWPTPRLGHZFIV-UHFFFAOYSA-K

Molecular Formula

  • C78-H78-Fe-N3-O30

Molecular Weight

  • 1593.31
 
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Names and Synonyms

Results Name

  • Carminomycin-iron complex

Synonym

  • Carminomycin-iron complex

Systematic Name

  • Iron, tris(8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-5,12-naphthacenedionato-O5,O6)-, stereoisomer

Registry Numbers

CAS Registry Number

  • 99684-42-1

System Generated Number

  • 0099684421

Structure Descriptors

InChI

1S/3C26H27NO10.Fe/c3*1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33;/h3*3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3;/q;;;+3/p-3

InChIKey

ZJWPTPRLGHZFIV-UHFFFAOYSA-K

Smiles

C1[C@@H](N)[C@@H]([C@@H](O[C@@H]1O[C@@H]1c2c(c(c3c(C(c4c(C3=O)cccc4O)=O)c2O)[O-])C[C@@](C1)(O)C(C)=O)C)O.C1[C@@H](N)[C@@H](O)[C@@H](C)O[C@@H]1O[C@@H]1c2c(c(c3c(C(c4c(C3=O)cccc4O)=O)c2O)[O-])C[C@@](O)(C(C)=O)C1.C1[C@@H]([C@@H]([C@@H](O[C@@H]1O[C@@H]1c2c(C[C@@](C1)(O)C(C)=O)c(c1c(c2O)C(c2c(C1=O)cccc2O)=O)[O-])C)O)N.[Fe+3]