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Substance Name: Auramycin B
RN: 78173-91-8
InChIKey: PCGZUKQITWMLRC-RJFPJLDVSA-N

Note

  • Anthracycline antibiotic from Streptomyces galilaeus.

Classification Code

  • Mutation Data

Molecular Formula

  • C41-H49-N-O15

Molecular Weight

  • 795.83
 
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Names and Synonyms

Name of Substance

  • Auramycin B

Synonym

  • Auramycin B

Systematic Names

  • 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexapyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-
  • 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-d ioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-

Registry Numbers

CAS Registry Number

  • 78173-91-8

System Generated Number

  • 0078173918

Structure Descriptors

InChI

1S/C41H49NO15/c1-16-24(44)13-26-40(53-16)57-38-18(3)52-29(14-25(38)54-26)56-37-17(2)51-28(12-22(37)42(5)6)55-27-15-41(4,49)33(39(48)50-7)20-11-21-32(36(47)31(20)27)35(46)30-19(34(21)45)9-8-10-23(30)43/h8-11,16-18,22,25-29,33,37-38,40,43,47,49H,12-15H2,1-7H3/t16-,17-,18-,22-,25-,26-,27-,28-,29-,33-,37+,38+,40-,41+/m0/s1

InChIKey

PCGZUKQITWMLRC-RJFPJLDVSA-N

Smiles

C1[C@H]2[C@@H]([C@@H](O[C@H]1O[C@@H]1[C@@H](O[C@H](C[C@@H]1N(C)C)O[C@@H]1c3c(O)c4C(=O)c5c(cccc5C(=O)c4cc3[C@@H](C(OC)=O)[C@@](O)(C)C1)O)C)C)O[C@H]1[C@@H](O2)CC([C@@H](O1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Patent Application. Vol. #19302,