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Substance Name: Dibromosceptrin
RN: 117417-71-7
InChIKey: HCZXBTALDGQIPO-UHFFFAOYSA-N

Note

  • Isolated from marine sponges of the genus Agelas.

Molecular Formula

  • C22-H22-Br4-N10-O2

Molecular Weight

  • 778.1
 
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Names and Synonyms

Name of Substance

  • Dibromosceptrin

Systematic Name

  • 1H-Pyrrole-2-carboxamide, N,N'-((3,4-bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl)bis(methylene))bis(4,5-dibromo-, (1R-(1alpha,2beta,3alpha,4beta))-

Registry Numbers

CAS Registry Number

  • 117417-71-7

System Generated Number

  • 0117417717

Structure Descriptors

InChI

1S/C22H22Br4N10O2/c23-9-1-11(33-17(9)25)19(37)29-3-7-8(4-30-20(38)12-2-10(24)18(26)34-12)16(14-6-32-22(28)36-14)15(7)13-5-31-21(27)35-13/h1-2,5-8,15-16,33-34H,3-4H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,32,36)

InChIKey

HCZXBTALDGQIPO-UHFFFAOYSA-N

Smiles

c1(nc(c[nH]1)[C@@H]1[C@@H]([C@@H]([C@@H]1CNC(=O)c1[nH]c(c(c1)Br)Br)CNC(=O)c1[nH]c(c(c1)Br)Br)c1nc([nH]c1)N)N