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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-farnesyloxime
RN: 41887-55-2
InChIKey: OJPCIWGYWKUXNM-PJWIOCACSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C53-H72-N2-O13

Molecular Weight

  • 945.1528
 
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Names and Synonyms

Synonyms

  • 3-Formylrifamycin SV O-farnesyloxime
  • BRN 5419057

Systematic 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-farnesyloxime

Registry Numbers

CAS Registry Number

  • 41887-55-2

System Generated Number

  • 0041887552

Structure Descriptors

InChI

1S/C53H72N2O13/c1-28(2)17-14-18-29(3)19-15-20-30(4)23-26-66-54-27-38-43-48(61)41-40(47(38)60)42-50(36(10)46(41)59)68-53(12,51(42)62)65-25-24-39(64-13)33(7)49(67-37(11)56)35(9)45(58)34(8)44(57)31(5)21-16-22-32(6)52(63)55-43/h16-17,19,21-25,27,31,33-35,39,44-45,49,57-61H,14-15,18,20,26H2,1-13H3,(H,55,63)/b21-16+,25-24+,29-19+,30-23+,32-22-,54-27+

InChIKey

OJPCIWGYWKUXNM-PJWIOCACSA-N

Smiles

Cc1c(c2c3c4c1OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 135mg/kg (135mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.