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Substance Name: Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-, 21-acetate, sodium salt
RN: 102585-47-7
InChIKey: WGMGFUHZAFYGSO-VLIBQTNGSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H49-N-O14.Na

Molecular Weight

  • 777.7912
 
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Names and Synonyms

  • Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-, 21-acetate, sodium salt

Registry Numbers

CAS Registry Number

  • 102585-47-7

System Generated Number

  • 0102585477

Molecular Formulas

Molecular Formula

  • C39-H49-N-O14.Na

Molecular Formula Fragments

  • C39-H49-N-O14
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H49NO14.Na/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44;/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43);/q;+1/p-1/b11-10+,14-13+,18-12+;/t17-,19+,20+,21+,25-,31?,32+,35+,39-;/m0./s1

InChIKey

WGMGFUHZAFYGSO-VLIBQTNGSA-M

Smiles

Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H](C([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OCC(=O)[O-])O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1800mg/kg (1800mg/kg)   Farmaco, Edizione Scientifica. Vol. 14, Pg. 146, 1959.