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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-(2-isopropoxyethyl)oxime
RN: 41970-62-1
InChIKey: BRVYTBGKTROVBJ-BCVXKMASSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H58-N2-O14

Molecular Weight

  • 826.9312
 
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Names and Synonyms

Synonyms

  • 3-Formylrifamycin SV O-(2-isopropoxyethyl)oxime
  • BRN 5418515

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-(2-isopropoxyethyl)oxime

Registry Numbers

CAS Registry Number

  • 41970-62-1

System Generated Number

  • 0041970621

Structure Descriptors

InChI

1S/C43H58N2O14/c1-20(2)55-17-18-57-44-19-28-33-38(51)31-30(37(28)50)32-40(26(8)36(31)49)59-43(10,41(32)52)56-16-15-29(54-11)23(5)39(58-27(9)46)25(7)35(48)24(6)34(47)21(3)13-12-14-22(4)42(53)45-33/h12-16,19-21,23-25,29,34-35,39,47-51H,17-18H2,1-11H3,(H,45,53)/b13-12+,16-15+,22-14-,44-19+

InChIKey

BRVYTBGKTROVBJ-BCVXKMASSA-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/OCCOC(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 212mg/kg (212mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.