Sceptrine

CAS Registry Number®

79638-16-7
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CAS Name

Sceptrine

Molecular Formula

C22H24Br2N10O2

Molecular Mass

620.30

Cite this Page

Sceptrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=79638-16-7 (retrieved 2024-05-02) (CAS RN: 79638-16-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m1/s1

InChIKey

InChIKey=YPZNLFZLPZWWAD-GWIYSAMLSA-N

SMILES

C(NC(=O)C=1NC=C(Br)C1)[C@H]2[C@@H]([C@H]([C@@H]2CNC(=O)C=3NC=C(Br)C3)C4=CN=C(N)N4)C5=CN=C(N)N5

Canonical SMILES

O=C(NCC1C(C2=CN=C(N)N2)C(C3=CN=C(N)N3)C1CNC(=O)C4=CC(Br)=CN4)C5=CC(Br)=CN5

Other Names for this Substance

  • 1H-Pyrrole-2-carboxamide, N,N′-[[(1R,2R,3S,4S)-3,4-bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo-
  • 1H-Pyrrole-2-carboxamide, N,N′-[[3,4-bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo-, [1R-(1α,2β,3α,4β)]-
  • N,N′-[[(1R,2R,3S,4S)-3,4-Bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo-1H-pyrrole-2-carboxamide]
  • Sceptrin base
  • Sceptrin

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