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Substance Name: BRN 0505589
RN: 26413-85-4
InChIKey: KVEIBVYCTNFVQB-FLRRRYEYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N2-O10

Molecular Weight

  • 558.581
 
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Names and Synonyms

Results Name

  • BRN 0505589

Synonym

  • BRN 0505589

Systematic Name

  • Pyrrole-2-carboxylic acid, 5-methyl-, 3'-ester with N-(7-((6-deoxy-4-O-methyl-5-C-methyl-alpha-L-lyxo-hexapyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-benzopryan-7-yl)isobutyramide

Registry Numbers

CAS Registry Number

  • 26413-85-4

System Generated Number

  • 0026413854

Structure Descriptors

InChI

1S/C28H34N2O10/c1-12(2)24(33)30-18-19(31)15-9-11-17(14(4)21(15)38-26(18)35)37-27-20(32)22(23(36-7)28(5,6)40-27)39-25(34)16-10-8-13(3)29-16/h8-12,20,22-23,27,29,31-32H,1-7H3,(H,30,33)/t20-,22+,23-,27-/m1/s1

InChIKey

KVEIBVYCTNFVQB-FLRRRYEYSA-N

Smiles

C1([C@H](OC)[C@@H](OC(=O)c2ccc([nH]2)C)[C@H]([C@@H](O1)Oc1c(c2c(c(c(c(o2)=O)NC(=O)C(C)C)O)cc1)C)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.
mouse LD50 oral 1400mg/kg (1400mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.