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Substance Name: 2,7-(Epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-a)phenazine-1,15(2H)-dione, 5,6,21,23,25-pentahydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-, 25-acetate
RN: 10238-70-7
InChIKey: HLRSUUZFBYJLHJ-NAKGLTHCSA-N

Molecular Formula

  • C43-H49-N3-O11

Molecular Weight

  • 783.87
 
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Names and Synonyms

Synonyms

  • BRN 0956463
  • Rifazine

Systematic Name

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-a)phenazine-1,15(2H)-dione, 5,6,21,23,25-pentahydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-, 25-acetate

Registry Numbers

CAS Registry Number

  • 10238-70-7

System Generated Number

  • 0010238707

Structure Descriptors

InChI

1S/C43H49N3O11/c1-19-13-12-14-20(2)42(53)46-34-33-32(44-26-15-10-11-16-27(26)45-33)29-30(38(34)51)37(50)24(6)40-31(29)41(52)43(8,57-40)55-18-17-28(54-9)21(3)39(56-25(7)47)23(5)36(49)22(4)35(19)48/h10-19,21-23,28,35-36,39,48-51H,1-9H3,(H,46,53)/b13-12+,18-17+,20-14-/t19-,21+,22+,23+,28-,35-,36+,39+,43-/m0/s1

InChIKey

HLRSUUZFBYJLHJ-NAKGLTHCSA-N

Smiles

c12c3c(c4c5c(O[C@@](C5=O)(OC=C[C@@H]([C@H]([C@@H](OC(=O)C)[C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(N1)=O)C)C)O)C)O)C)C)OC)C)c(c(c4c2O)O)C)nc1ccccc1n3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 291mg/kg (291mg/kg)   Chemotherapia. Vol. 12, Pg. 247, 1967.
mouse LD50 oral 1638mg/kg (1638mg/kg)   Chemotherapia. Vol. 12, Pg. 247, 1967.
rat LD50 oral 2gm/kg (2000mg/kg)   Chemotherapia. Vol. 12, Pg. 247, 1967.