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Substance Name: beta-Pyrromycin RDC
RN: 77517-28-3
InChIKey: KRGULZIYLGJXHL-RUBOWPBISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H51-N-O15

Molecular Weight

  • 785.8349
 
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Names and Synonyms

Results Name

  • beta-Pyrromycin RDC

Synonym

  • beta-Pyrromycin RDC

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-ethyl-1,4,6,9,10-pentahydroxy-7-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7S-(7-alpha,9-alpha,10-beta))-

Registry Numbers

CAS Registry Number

  • 77517-28-3

System Generated Number

  • 0077517283

Structure Descriptors

InChI

1S/C40H51NO15/c1-7-40(50)15-26(30-20(39(40)49)12-19-31(35(30)47)36(48)33-24(44)9-8-23(43)32(33)34(19)46)54-28-13-21(41(5)6)37(17(3)52-28)56-29-14-25(45)38(18(4)53-29)55-27-11-10-22(42)16(2)51-27/h8-9,12,16-18,21,25-29,37-39,43-45,47,49-50H,7,10-11,13-15H2,1-6H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,37+,38+,39+,40+/m0/s1

InChIKey

KRGULZIYLGJXHL-RUBOWPBISA-N

Smiles

CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 85500ug/kg (85.5mg/kg)   European Patent Application. Vol. #22574,