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Substance Name: 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-(3-phenylpropyl)oxime
RN: 38128-87-9
InChIKey: RTZJZXNZOCDNHE-RIHAHWCPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H58-N2-O13

Molecular Weight

  • 858.976
 
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Names and Synonyms

Synonyms

  • 3-Formyl rifamycin SV O-3-phenylpropyl oxime
  • 3-Formylrifamycin SV O-(3-phenylpropyl)oxime
  • AF 015
  • BRN 5418748
  • NSC 143476

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-(3-phenylpropyl)oxime
  • Rifamycin, 3-(((3-phenylpropoxy)imino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 38128-87-9

System Generated Number

  • 0038128879

Structure Descriptors

InChI

1S/C47H58N2O13/c1-24-15-13-16-25(2)46(57)49-37-32(23-48-60-21-14-19-31-17-11-10-12-18-31)41(54)34-35(42(37)55)40(53)29(6)44-36(34)45(56)47(8,62-44)59-22-20-33(58-9)26(3)43(61-30(7)50)28(5)39(52)27(4)38(24)51/h10-13,15-18,20,22-24,26-28,33,38-39,43,51-55H,14,19,21H2,1-9H3,(H,49,57)/b15-13+,22-20+,25-16-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1

InChIKey

RTZJZXNZOCDNHE-RIHAHWCPSA-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(c3C)O)O)\C=N\OCCCc1ccccc1)=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 102mg/kg (102mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.