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Substance Name: Polyoxin A
RN: 19396-03-3
UNII: FGY211ZGNZ
InChIKey: PQAGMWMKVWTHJU-ATETYRDMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C23-H32-N6-O14

Molecular Weight

  • 616.534
 
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Names and Synonyms

Name of Substance

  • Polyoxin A

Synonyms

  • Polyoxin A
  • UNII-FGY211ZGNZ

Systematic Names

  • (S-(E))-1-(5-((2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronoyl)-3-ethylidene-2- azetidinecarboxylic acid
  • 2-Azetidinecarboxylic acid, 1-(5-(2-amino-2-deoxy-L-xylonamido)-1,5-dideoxy-1-(3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronoyl)-3-ethylidene-, monocarbamate (ester), (E)-L-

Registry Numbers

CAS Registry Number

  • 19396-03-3

FDA UNII

  • FGY211ZGNZ

System Generated Number

  • 0019396033

Structure Descriptors

InChI

1S/C23H32N6O14/c1-2-7-3-28(12(7)21(38)39)19(37)11(26-18(36)10(24)13(32)9(31)6-42-22(25)40)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)27-23(29)41/h2,4,9-16,20,30-34H,3,5-6,24H2,1H3,(H2,25,40)(H,26,36)(H,38,39)(H,27,35,41)/b7-2-/t9-,10-,11-,12-,13+,14-,15+,16+,20+/m0/s1

InChIKey

PQAGMWMKVWTHJU-ATETYRDMSA-N

Smiles

N1(C(=O)[C@@H](NC([C@H]([C@@H]([C@H](COC(N)=O)O)O)N)=O)[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cc(c(=O)[nH]c2=O)CO)[C@@H](\C(=C/C)C1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 244, 1981.