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Substance Name: Erythromycin, 9-deoxo-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 3-amino-2,4,6-trichloro-alpha-ethylbenzenepropanoate (salt)
RN: 59246-33-2
InChIKey: CDVJGCXTBREAMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H65-N-O14.C11-H12-Cl3-N-O2

Molecular Weight

  • 1056.5
 
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Names and Synonyms

  • Erythromycin, 9-deoxo-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 3-amino-2,4,6-trichloro-alpha-ethylbenzenepropanoate (salt)

Registry Numbers

CAS Registry Number

  • 59246-33-2

System Generated Number

  • 0059246332

Molecular Formulas

Molecular Formula

  • C38-H65-N-O14.C11-H12-Cl3-N-O2

Molecular Formula Fragments

  • C11-H12-Cl3-N-O2
  • C38-H65-N-O14
  • COMPONENT

Structure Descriptors

InChI

1S/C38H65NO14.C11H12Cl3NO2/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;1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h18-31,33,40-41,44H,14-17H2,1-13H3;4-5H,2-3,15H2,1H3,(H,16,17)

InChIKey

CDVJGCXTBREAMF-UHFFFAOYSA-N

Smiles

O1C(O[C@@H]2[C@@H](C)[C@@]3([C@@H](C[C@@](O3)(C)[C@@H]([C@@H](C)[C@@H](O[C@@H]3C[C@@](OC)(C)[C@@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@@H]([C@@]12C)CC)O[C@@H]1O[C@@H](C[C@@H]([C@@H]1O)N(C)C)C)C)O)=O.c1(c(c(c(c(c1)Cl)C[C@@H](C(=O)O)CC)Cl)N)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4200mg/kg (4200mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 32, Pg. 311, 1975.