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Substance Name: Cobalt(1+), (2-(((2-aminoethyl)amino)methyl)-5-bromo-N-(2-(1H-imidazol-4-yl)ethyl)-4-pyrimidinecarboxamidato)chloro-, (OC-6-63)-, chloride, compd. with ethanol (1:1)
RN: 140661-29-6
InChIKey: AJFSAMSLEFFPNW-UHFFFAOYSA-K

Molecular Formula

  • C13-H17-Br-Cl-Co-N7-O.C2-H6-O.Cl

Molecular Weight

  • 543.137
 
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Names and Synonyms

  • Cobalt(1+), (2-(((2-aminoethyl)amino)methyl)-5-bromo-N-(2-(1H-imidazol-4-yl)ethyl)-4-pyrimidinecarboxamidato)chloro-, (OC-6-63)-, chloride, compd. with ethanol (1:1)

Registry Numbers

CAS Registry Number

  • 140661-29-6

System Generated Number

  • 0140661296

Molecular Formulas

Molecular Formula

  • C13-H17-Br-Cl-Co-N7-O.C2-H6-O.Cl

Molecular Formula Fragments

  • C13-H17-Br-Cl-Co-N7-O
  • C2-H6-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18BrN7O.C2H6O.2ClH.Co/c14-10-6-19-11(7-16-4-2-15)21-12(10)13(22)18-3-1-9-5-17-8-20-9;1-2-3;;;/h5-6,8,16H,1-4,7,15H2,(H2,17,18,20,22);3H,2H2,1H3;2*1H;/q;;;;+3/p-3

InChIKey

AJFSAMSLEFFPNW-UHFFFAOYSA-K

Smiles

C(C)O.[NH-](CCc1nc[nH]c1)C(c1c(cnc(n1)CNCCN)Br)=O.[ClH-].[ClH-].[Co+3]