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Substance Name: Erythromycin, 9-deoxo-6-deoxy-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 2-((3-hydroxyphenyl)methylene)butanoate (salt)
RN: 59202-90-3
InChIKey: QVVSYAOLDPEQIA-RRJFPGPQSA-N

Molecular Formula

  • C38-H65-N-O14.C11-H12-O3

Molecular Weight

  • 952.137
 
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Names and Synonyms

  • Erythromycin, 9-deoxo-6-deoxy-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 2-((3-hydroxyphenyl)methylene)butanoate (salt)

Registry Numbers

CAS Registry Number

  • 59202-90-3

System Generated Number

  • 0059202903

Molecular Formulas

Molecular Formula

  • C38-H65-N-O14.C11-H12-O3

Molecular Formula Fragments

  • C11-H12-O3
  • C38-H65-N-O14
  • COMPONENT

Structure Descriptors

InChI

1S/C38H65NO14.C11H12O3/c1-14-25-37(10)31(51-34(43)52-37)22(6)38(44)18(2)16-36(9,53-38)30(50-33-27(40)24(39(11)12)15-19(3)46-33)20(4)28(21(5)32(42)48-25)49-26-17-35(8,45-13)29(41)23(7)47-26;1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h18-31,33,40-41,44H,14-17H2,1-13H3;3-7,12H,2H2,1H3,(H,13,14)/b;9-6+

InChIKey

QVVSYAOLDPEQIA-RRJFPGPQSA-N

Smiles

O1C(=O)O[C@@H]2[C@@H]([C@@]3([C@@H](C[C@@](O3)(C)[C@@H]([C@@H](C)[C@@H](O[C@@H]3O[C@@H]([C@@H]([C@@](C3)(OC)C)O)C)[C@@H](C)C(O[C@@H](CC)[C@@]12C)=O)O[C@@H]1O[C@@H](C[C@@H]([C@@H]1O)N(C)C)C)C)O)C.c1(\C=C(\C(O)=O)CC)cc(ccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5100mg/kg (5100mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 32, Pg. 311, 1975.