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Substance Name: Erythromycin, 2'-((5-nitro-2-furyl)acrylate)
RN: 60847-77-0
InChIKey: CBMQECIFWTWWFI-FBMGVBCBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H70-N2-O17

Molecular Weight

  • 899.034
 
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Names and Synonyms

Synonyms

  • 3-Cladinosyl-5-(2'-O-(5-nitro-2-furyl)acryloyl)desosaminylerythronolide A
  • BRN 1420421

Systematic Names

  • Erythromycin, 2'-((5-nitro-2-furyl)acrylate)
  • Erythromycin, 2'-(3-(5-nitro-2-furanyl)-2-propenoate)

Registry Numbers

CAS Registry Number

  • 60847-77-0

System Generated Number

  • 0060847770

Structure Descriptors

InChI

1S/C44H70N2O17/c1-14-30-44(10,53)37(49)24(4)34(48)22(2)20-42(8,52)39(25(5)35(26(6)40(51)60-30)62-33-21-43(9,56-13)38(50)27(7)58-33)63-41-36(29(45(11)12)19-23(3)57-41)61-32(47)18-16-28-15-17-31(59-28)46(54)55/h15-18,22-27,29-30,33,35-39,41,49-50,52-53H,14,19-21H2,1-13H3/b18-16+

InChIKey

CBMQECIFWTWWFI-FBMGVBCBSA-N

Smiles

o1c(ccc1[N+]([O-])=O)\C=C\C(O[C@@H]1[C@@H](O[C@@H](C[C@@H]1N(C)C)C)O[C@@H]1[C@@H]([C@@H]([C@@H](C)C(=O)O[C@@H](CC)[C@@]([C@@H]([C@@H](C([C@@H](C[C@@]1(C)O)C)=O)C)O)(O)C)O[C@@H]1O[C@@H]([C@@H]([C@@](C1)(OC)C)O)C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 355mg/kg (355mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 582, 1976.