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Substance Name: Erythromycin, 9-deoxo-9-(((4-iodophenyl)sulfonyl)amino)-, (9S)-
RN: 61066-19-1
InChIKey: ZRMKMCJWCZIQSC-CMAYOOJISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H73-I-N2-O14-S

Molecular Weight

  • 1001.02
 
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Names and Synonyms

Synonyms

  • (9S)-9-Deoxo-9-(((4-iodophenyl)sulfonyl)amino)erythromycin
  • BRN 1677062
  • N-(4-Iodobenzenesulfonyl)erythromycylamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61066-19-1

System Generated Number

  • 0061066191

Structure Descriptors

InChI

1S/C43H73IN2O14S/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/t22-,23+,24+,25+,26-,27+,30-,31-,32+,33+,34+,35+,36-,37+,38-,40-,41-,42-,43-/m1/s1

InChIKey

ZRMKMCJWCZIQSC-CMAYOOJISA-N

Smiles

O([C@@H]1[C@H]([C@H](O[C@H]2C[C@]([C@@H](O)[C@@H](O2)C)(OC)C)[C@H](C(O[C@@H]([C@@](C)(O)[C@@H]([C@H]([C@H]([C@@H](C[C@@]1(C)O)C)NS(=O)(=O)c1ccc(cc1)I)C)O)CC)=O)C)C)[C@@H]1[C@H]([C@@H](C[C@@H](O1)C)N(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 114mg/kg (114mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.
mouse LD50 intravenous 50mg/kg (50mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.