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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-ethoxyethyl)oxime
RN: 41887-56-3
InChIKey: VQEAERAIVMDRHN-ABZSJSOXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H56-N2-O14

Molecular Weight

  • 812.9044
 
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Names and Synonyms

Synonyms

  • 3-Formylrifamycin SV O-(2-ethoxyethyl)oxime
  • BRN 5418453

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-ethoxyethyl)oxime

Registry Numbers

CAS Registry Number

  • 41887-56-3

System Generated Number

  • 0041887563

Structure Descriptors

InChI

1S/C42H56N2O14/c1-11-54-17-18-56-43-19-27-32-37(50)30-29(36(27)49)31-39(25(7)35(30)48)58-42(9,40(31)51)55-16-15-28(53-10)22(4)38(57-26(8)45)24(6)34(47)23(5)33(46)20(2)13-12-14-21(3)41(52)44-32/h12-16,19-20,22-24,28,33-34,38,46-50H,11,17-18H2,1-10H3,(H,44,52)/b13-12+,16-15+,21-14-,43-19+

InChIKey

VQEAERAIVMDRHN-ABZSJSOXSA-N

Smiles

CCOCCO/N=C/c1c2c(c3c(c1O)c4c(c(c3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N2)/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 256mg/kg (256mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.