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Substance Name: Erythromycin, 9-deoxo-9-(((4-methylphenyl)sulfonyl)amino)-, (9S)-
RN: 56998-46-0
InChIKey: PKZJCCQFQFWULK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H76-N2-O14-S

Molecular Weight

  • 889.15
 
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Names and Synonyms

Synonyms

  • (9S)-9-Deoxo-9-(((4-methylphenyl)sulfonyl)amino)erythromycin
  • BRN 1677012
  • N-(4-Methylbenzenesulfonyl)erythromycylamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56998-46-0

System Generated Number

  • 0056998460

Structure Descriptors

InChI

1S/C44H76N2O14S/c1-15-32-44(11,52)37(48)26(5)34(45-61(53,54)30-18-16-23(2)17-19-30)24(3)21-42(9,51)39(60-41-35(47)31(46(12)13)20-25(4)56-41)27(6)36(28(7)40(50)58-32)59-33-22-43(10,55-14)38(49)29(8)57-33/h16-19,24-29,31-39,41,45,47-49,51-52H,15,20-22H2,1-14H3

InChIKey

PKZJCCQFQFWULK-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)C)C)(O)C)[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 118mg/kg (118mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.
mouse LD50 intravenous 63900ug/kg (63.9mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.