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Substance Name: 3-Formylrifamycin SV O-nonyloxime
RN: 38850-20-3
InChIKey: DGJMWHACYIAWNC-BHWUAOECSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H66-N2-O13

Molecular Weight

  • 867.039
 
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Names and Synonyms

Results Name

  • 3-Formylrifamycin SV O-nonyloxime

Synonyms

  • 3-Formylrifamycin SV O-nonyloxime
  • BRN 5418652
  • NSC 165123

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-nonyloxime
  • Rifamycin, 3-(((nonyloxy)imino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 38850-20-3

System Generated Number

  • 0038850203

Structure Descriptors

InChI

1S/C47H66N2O13/c1-11-12-13-14-15-16-17-22-60-48-24-32-37-42(55)35-34(41(32)54)36-44(30(7)40(35)53)62-47(9,45(36)56)59-23-21-33(58-10)27(4)43(61-31(8)50)29(6)39(52)28(5)38(51)25(2)19-18-20-26(3)46(57)49-37/h18-21,23-25,27-29,33,38-39,43,51-55H,11-17,22H2,1-10H3,(H,49,57)/b19-18+,23-21+,26-20-,48-24+/t25-,27+,28+,29+,33-,38-,39+,43+,47-/m0/s1

InChIKey

DGJMWHACYIAWNC-BHWUAOECSA-N

Smiles

c12c3O[C@@](C2=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](C=CC=C(C(Nc2c(c(c1c(c2\C=N\OCCCCCCCCC)O)c(c3C)O)O)=O)C)C)C)O)C)OC(=O)C)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 96mg/kg (96mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.