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Substance Name: Aminodeoxybutyrosin A
RN: 49863-03-8
InChIKey: IBLOPEHFKHWIOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H42-N6-O11

Molecular Weight

  • 554.594
 
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Names and Synonyms

Results Name

  • Aminodeoxybutyrosin A

Synonyms

  • 5''-Aminodeoxybutirosin A
  • Aminodeoxybutyrosin A

Systematic Name

  • D-Streptamine, O-5-amino-5-deoxy-beta-D-xylofuranosyl-(1-5)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-

Registry Numbers

CAS Registry Number

  • 49863-03-8

System Generated Number

  • 0049863038

Structure Descriptors

InChI

1S/C21H42N6O11/c22-2-1-8(28)19(34)27-7-3-6(25)17(37-20-11(26)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-24)36-21/h6-18,20-21,28-33H,1-5,22-26H2,(H,27,34)

InChIKey

IBLOPEHFKHWIOR-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H](N)[C@@H]1O[C@@H]1[C@@H]([C@@H]([C@@H](NC([C@@H](CCN)O)=O)C[C@@H]1N)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]1O)O)CN)O)O)CN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 170mg/kg (170mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 86, 1991.