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Substance Name: Neopolyoxin B
RN: 75005-71-9
InChIKey: BQPHOTQSNGGNOY-UHFFFAOYSA-N

Note

  • Fungal cell wall chitin synthetase inhibitor.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N5-O11

Molecular Weight

  • 511.441
 
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Names and Synonyms

Name of Substance

  • Neopolyoxin B

Synonym

  • Neopolyoxin B

Systematic Name

  • beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-, (2S-(2R*,3R*,4R*))-

Registry Numbers

CAS Registry Number

  • 75005-71-9

System Generated Number

  • 0075005719

Structure Descriptors

InChI

1S/C20H25N5O11/c1-6(12(27)8-3-2-7(26)4-22-8)10(21)16(30)24-11(19(33)34)15-13(28)14(29)17(36-15)25-5-9(18(31)32)23-20(25)35/h2-6,10-15,17,26-29H,21H2,1H3,(H,23,35)(H,24,30)(H,31,32)(H,33,34)

InChIKey

BQPHOTQSNGGNOY-UHFFFAOYSA-N

Smiles

c1nc(ccc1O)[C@@H](O)[C@@H]([C@@H](C(=O)N[C@@H](C(O)=O)[C@@H]1O[C@@H]([C@@H]([C@@H]1O)O)n1c([nH]c(c1)C(O)=O)=O)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 250mg/kg (250mg/kg)   Agricultural and Biological Chemistry. Vol. 44, Pg. 1709, 1980.