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Substance Name: Erythromycin nalidixate
RN: 167029-45-0
InChIKey: CWQUMFCKXBZHJP-YZPBMOCRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H67-O13.C12-H12-N2-O3

Molecular Weight

  • 966.168
 
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Names and Synonyms

Name of Substance

  • Erythromycin nalidixate

Synonym

  • Erythromycin nalidixate

Systematic Names

  • Erythromycin, 1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
  • Erythromycin, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

Registry Numbers

CAS Registry Number

  • 167029-45-0

System Generated Number

  • 0167029450

Molecular Formulas

Molecular Formula

  • C37-H67-O13.C12-H12-N2-O3

Molecular Formula Fragments

  • C12-H12-N2-O3
  • C37-H67-O13
  • COMPONENT

Structure Descriptors

InChI

1S/C37H67NO13.C12H12N2O3/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;4-6H,3H2,1-2H3,(H,16,17)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1

InChIKey

CWQUMFCKXBZHJP-YZPBMOCRSA-N

Smiles

O1[C@@H](O[C@@H]2[C@H]([C@H](O[C@H]3C[C@]([C@H]([C@@H](O3)C)O)(OC)C)[C@@H](C)C(O[C@H](CC)[C@@](O)([C@@H]([C@H](C([C@@H](C[C@]2(O)C)C)=O)C)O)C)=O)C)[C@H](O)[C@@H](N(C)C)C[C@H]1C.c1(c2c(n(cc1C(=O)O)CC)nc(cc2)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 371mg/kg (371mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 45, Pg. 813, 1995.