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Substance Name: Erythromycin, 9-(((4-chlorophenyl)sulfonyl)amino)-9-deoxo-, (9S)-
RN: 56998-45-9
InChIKey: MMVWPYXQRNHIJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H73-Cl-N2-O14-S

Molecular Weight

  • 909.569
 
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Names and Synonyms

Synonyms

  • (9S)-9-(((4-Chlorophenyl)sulfonyl)amino)-9-deoxo-erythromycin
  • BRN 1677064
  • N-(4-Chlorobenzenesulfonyl)erythromycylamine

Systematic Name

  • Erythromycin, 9-(((4-chlorophenyl)sulfonyl)amino)-9-deoxo-, (9S)-

Registry Numbers

CAS Registry Number

  • 56998-45-9

System Generated Number

  • 0056998459

Structure Descriptors

InChI

1S/C43H73ClN2O14S/c1-14-31-43(10,52)36(48)24(4)33(45-61(53,54)29-17-15-28(44)16-18-29)22(2)20-41(8,51)38(60-40-34(47)30(46(11)12)19-23(3)56-40)25(5)35(26(6)39(50)58-31)59-32-21-42(9,55-13)37(49)27(7)57-32/h15-18,22-27,30-38,40,45,47-49,51-52H,14,19-21H2,1-13H3

InChIKey

MMVWPYXQRNHIJB-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@](C[C@@H]([C@@H]([C@@H]([C@@H]([C@@]([C@@H](CC)OC(=O)[C@@H]([C@@H]([C@@H]1C)O[C@@H]1C[C@@]([C@@H]([C@@H](O1)C)O)(C)OC)C)(C)O)O)C)NS(=O)(=O)c1ccc(cc1)Cl)C)(C)O)[C@@H]1O[C@@H](C[C@@H]([C@@H]1O)N(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.
mouse LD50 intravenous 59mg/kg (59mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.
mouse LD50 oral > 3gm/kg (3000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.