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Substance Name: 3-Formylrifamycin SV O-ethyloxime
RN: 38128-90-4
InChIKey: VBCYACKZOYZINP-CFXBCBNJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H52-N2-O13

Molecular Weight

  • 768.852
 
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Names and Synonyms

Results Name

  • 3-Formylrifamycin SV O-ethyloxime

Synonyms

  • 3-Formylrifamycin SV O-ethyloxime
  • BRN 5418107
  • NSC 143455

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 3-formyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, O-ethyloxime
  • Rifamycin, 3-((ethoxyimino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 38128-90-4

System Generated Number

  • 0038128904

Structure Descriptors

InChI

1S/C40H52N2O13/c1-11-53-41-17-25-30-35(48)28-27(34(25)47)29-37(23(7)33(28)46)55-40(9,38(29)49)52-16-15-26(51-10)20(4)36(54-24(8)43)22(6)32(45)21(5)31(44)18(2)13-12-14-19(3)39(50)42-30/h12-18,20-22,26,31-32,36,44-48H,11H2,1-10H3,(H,42,50)/b13-12+,16-15+,19-14-,41-17+

InChIKey

VBCYACKZOYZINP-CFXBCBNJSA-N

Smiles

c12c(c(O)c3c4c(c(c(O)c3c2O)C)O[C@@](C)(C4=O)OC=C[C@@H](OC)[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(N1)=O)OC(=O)C)\C=N\OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 154mg/kg (154mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.