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Substance Name: Erythromycin, 9-deoxo-6-deoxy-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 2-((3-aminophenyl)methylene)butanoate (salt)
RN: 59202-89-0
InChIKey: OSJOOMHFWVMVJH-RRJFPGPQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H65-N-O14.C11-H13-N-O2

Molecular Weight

  • 951.153
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 59202-89-0

System Generated Number

  • 0059202890

Molecular Formulas

Molecular Formula

  • C38-H65-N-O14.C11-H13-N-O2

Molecular Formula Fragments

  • C11-H13-N-O2
  • C38-H65-N-O14
  • COMPONENT

Structure Descriptors

InChI

1S/C38H65NO14.C11H13NO2/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;3-7H,2,12H2,1H3,(H,13,14)/b;9-6+

InChIKey

OSJOOMHFWVMVJH-RRJFPGPQSA-N

Smiles

c1(\C=C(/CC)C(O)=O)cc(ccc1)N.O1[C@@]2([C@@H]([C@@H]([C@@]3([C@@H](C[C@@]([C@@H](O[C@@H]4O[C@@H](C[C@@H]([C@@H]4O)N(C)C)C)[C@@H](C)[C@@H]([C@@H](C(O[C@@H]2CC)=O)C)O[C@@H]2C[C@@](OC)(C)[C@@H](O)[C@@H](C)O2)(O3)C)C)O)C)OC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3900mg/kg (3900mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 32, Pg. 311, 1975.