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Substance Name: Marcellomycin
RN: 63710-10-1
UNII: 3296X8L13E
InChIKey: VJRAUFKOOPNFIQ-TVEKBUMESA-N

Note

  • Pyrromycinone glycoside antibiotic isolated from bohemic acid complex.

Molecular Formula

  • C42-H55-N-O17

Molecular Weight

  • 845.886
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Marcellomycin

Synonyms

  • Antibiotic MA 144U2
  • CCRIS 2263
  • Marcellomycin
  • Rhodirubin E
  • UNII-3296X8L13E

Systematic Names

  • 1-Naphthacenecarboxylic acid, 4-((O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-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-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-
  • Marcellomycin

Registry Numbers

CAS Registry Number

  • 63710-10-1

FDA UNII

  • 3296X8L13E

System Generated Number

  • 0063710101

Structure Descriptors

InChI

1S/C42H55NO17/c1-8-42(53)15-26(30-19(34(42)41(52)54-7)11-20-31(37(30)50)38(51)33-23(45)10-9-22(44)32(33)36(20)49)58-27-12-21(43(5)6)39(17(3)56-27)59-29-14-25(47)40(18(4)57-29)60-28-13-24(46)35(48)16(2)55-28/h9-11,16-18,21,24-29,34-35,39-40,44-48,50,53H,8,12-15H2,1-7H3/t16-,17-,18-,21-,24-,25-,26-,27-,28-,29-,34-,35+,39+,40+,42+/m0/s1

InChIKey

VJRAUFKOOPNFIQ-TVEKBUMESA-N

Smiles

c1(ccc(O)c2C(c3c(C(c12)=O)c(O)c1[C@H](C[C@@]([C@@H](c1c3)C(OC)=O)(CC)O)O[C@@H]1O[C@H]([C@H]([C@H](C1)N(C)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)O)C)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 2952ug/kg (2.952mg/kg)   Drug and Chemical Toxicology. Vol. 6, Pg. 21, 1983.
mouse LD50 intraperitoneal 10560ug/kg (10.56mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 519, 1977.
mouse LD50 intravenous 15734ug/kg (15.734mg/kg)   Drug and Chemical Toxicology. Vol. 6, Pg. 21, 1983.