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Substance Name: Erythromycin, 9-(((4-(acetylamino)phenyl)sulfonyl)amino)-9-deoxo-, (9S)-
RN: 57049-06-6
InChIKey: VFHRYYRWSKRFTO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H77-N3-O15-S

Molecular Weight

  • 932.175
 
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Names and Synonyms

Synonyms

  • (9S)-9-(((4-(Acetylamino)phenyl)sulfonyl)amino)-9-deoxo-erythromycin
  • BRN 1677305
  • N-(4-Acetylaminobenzenesulfonyl)erythromycylamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57049-06-6

System Generated Number

  • 0057049066

Structure Descriptors

InChI

1S/C45H77N3O15S/c1-15-33-45(11,55)38(51)25(4)35(47-64(56,57)31-18-16-30(17-19-31)46-29(8)49)23(2)21-43(9,54)40(63-42-36(50)32(48(12)13)20-24(3)59-42)26(5)37(27(6)41(53)61-33)62-34-22-44(10,58-14)39(52)28(7)60-34/h16-19,23-28,32-40,42,47,50-52,54-55H,15,20-22H2,1-14H3,(H,46,49)

InChIKey

VFHRYYRWSKRFTO-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@](C[C@@H](C)[C@@H]([C@@H]([C@@H]([C@@]([C@@H](CC)OC(=O)[C@@H](C)[C@@H]([C@@H]1C)O[C@@H]1C[C@@]([C@@H]([C@@H](O1)C)O)(C)OC)(C)O)O)C)NS(=O)(=O)c1ccc(cc1)NC(=O)C)(C)O)[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 121mg/kg (121mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 83, 1978.
mouse LD50 intravenous 69mg/kg (69mg/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.