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Substance Name: Agelastatin C
RN: 201338-44-5
InChIKey: FTXCKDLRLVUKQU-RMEKTUJTSA-N

Molecular Formula

  • C12-H13-Br-N4-O4

Molecular Weight

  • 357.163
 
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Names and Synonyms

Results Name

  • Agelastatin C

Synonyms

  • (-)-Agelastatin C
  • Agelastatine C

Systematic Name

  • Imidazo(4',5':4,5)cyclopenta(1,2-e)pyrrolo(1,2-a)pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-5b,8a-dihydroxy-8-methyl-, (5aR-(5aalpha,5bbeta,8abeta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 201338-44-5

System Generated Number

  • 0201338445

Structure Descriptors

InChI

1S/C12H13BrN4O4/c1-16-10(19)15-12(21)8-6(4-11(12,16)20)17-5(9(18)14-8)2-3-7(17)13/h2-3,6,8,20-21H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,11+,12-/m1/s1

InChIKey

FTXCKDLRLVUKQU-RMEKTUJTSA-N

Smiles

c12C(N[C@@H]3[C@H](n1c(cc2)Br)C[C@@]1([C@@]3(NC(N1C)=O)O)O)=O