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Substance Name: Agelastatin A
RN: 152406-28-5
InChIKey: MPASKXAEPUAMBS-WJOUQXRDSA-N

Molecular Formula

  • C12-H13-Br-N4-O3

Molecular Weight

  • 341.164
 
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Names and Synonyms

Results Name

  • Agelastatin A

Synonyms

  • (-)-Agelastatin A
  • Agelastatin A
  • Agelastatine A

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-8a-hydroxy-8-methyl-, (5aS-(5aalpha,5bbeta,8abeta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 152406-28-5

System Generated Number

  • 0152406285

Structure Descriptors

InChI

1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1

InChIKey

MPASKXAEPUAMBS-WJOUQXRDSA-N

Smiles

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