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Substance Name: Bagougeramine B
RN: 104840-34-8
InChIKey: LCASODQCASDDLN-WEYBRJQASA-N

Note

  • From bacterial isolate from soil TB-2125.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H44-N12-O7

Molecular Weight

  • 612.689
 
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Names and Synonyms

Name of Substance

  • Bagougeramine B

Synonym

  • Bagougeramine B

Systematic Name

  • beta-D-Glucopyranuronamide, N-(3-((4-aminobutyl)amino)propyl)-4-((3-((aminoiminomethyl)amino)-N-(N-methylglycyl)-D-alanyl)amino)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,4-dideoxy-

Registry Numbers

CAS Registry Number

  • 104840-34-8

System Generated Number

  • 0104840348

Structure Descriptors

InChI

1S/C24H44N12O7/c1-29-12-15(37)33-13(11-32-23(27)28)20(40)35-16-17(38)18(39)22(36-10-5-14(26)34-24(36)42)43-19(16)21(41)31-9-4-8-30-7-3-2-6-25/h5,10,13,16-19,22,29-30,38-39H,2-4,6-9,11-12,25H2,1H3,(H,31,41)(H,33,37)(H,35,40)(H2,26,34,42)(H4,27,28,32)/t13-,16+,17+,18-,19+,22-/m1/s1

InChIKey

LCASODQCASDDLN-WEYBRJQASA-N

Smiles

O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)NC([C@H](NC(CNC)=O)CNC(=N)N)=O)C(=O)NCCCNCCCCN)n1ccc(nc1=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 1033, 1986.