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Substance Name: Rudolfomycin
RN: 69245-38-1
UNII: 1M9CVO6513
InChIKey: GFEWKUPUJDGEKH-WUZCFZOISA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H52-N2-O16

Molecular Weight

  • 840.8708
 
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Names and Synonyms

Name of Substance

  • Rudolfomycin

Synonyms

  • CCRIS 5078
  • Rudolfomycin
  • Rudolphomycin
  • UNII-1M9CVO6513

Systematic Names

  • (1R-(1alpha,2beta,4beta(2R*,6S*)))-4-((4-O-(4-O-(3-Amino-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid, methyl ester
  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((4-O-(4-O-(3-amino-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,11-dioxo-2-ethyl-2,5,7,10-tetrahydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta-(2R*,6S*)))-
  • Rudolfomycin

Registry Numbers

CAS Registry Number

  • 69245-38-1

FDA UNII

  • 1M9CVO6513

System Generated Number

  • 0069245381

Structure Descriptors

InChI

1S/C42H52N2O16/c1-8-42(53)15-27(30-19(34(42)40(52)54-7)11-20-31(36(30)50)37(51)33-24(46)10-9-23(45)32(33)35(20)49)58-28-13-22(44(5)6)38(17(3)55-28)59-29-14-26(48)39(18(4)56-29)60-41-21(43)12-25(47)16(2)57-41/h9-12,16-18,22,26-29,34,38-39,41,45-46,48,50,53H,8,13-15,43H2,1-7H3/t16-,17-,18-,22-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1

InChIKey

GFEWKUPUJDGEKH-WUZCFZOISA-N

Smiles

CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=O)C=C4N)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC