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Substance Name: 3-Formylrifamycin SV O-decyloxime
RN: 41776-56-1
InChIKey: SSPHEDDWUYPBGO-RYCDRROQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H68-N2-O13

Molecular Weight

  • 881.066
 
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Names and Synonyms

Results Name

  • 3-Formylrifamycin SV O-decyloxime

Synonyms

  • 3-Formylrifamycin SV O-decyloxime
  • BRN 5418702
  • NSC 165124

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-decyloxime
  • Rifamycin, 3-(((decyloxy)imino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 41776-56-1

System Generated Number

  • 0041776561

Structure Descriptors

InChI

1S/C48H68N2O13/c1-11-12-13-14-15-16-17-18-23-61-49-25-33-38-43(56)36-35(42(33)55)37-45(31(7)41(36)54)63-48(9,46(37)57)60-24-22-34(59-10)28(4)44(62-32(8)51)30(6)40(53)29(5)39(52)26(2)20-19-21-27(3)47(58)50-38/h19-22,24-26,28-30,34,39-40,44,52-56H,11-18,23H2,1-10H3,(H,50,58)/b20-19+,24-22+,27-21-,49-25+/t26-,28+,29+,30+,34-,39-,40+,44+,48-/m0/s1

InChIKey

SSPHEDDWUYPBGO-RYCDRROQSA-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(c2O)c(O)c3C)O)\C=N\OCCCCCCCCCC)=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 152mg/kg (152mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.