6-[(E)-(Amino{[(3,5-Diamino-6-Chloro-2-Pyrazinyl)Carbonyl]Amino}Methylene)Amino]Hexanoic Acid

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Properties Simple | Detailed

Formula C12H18ClN7O3
IUPAC Name 6-[(e)-[amino-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)amino]methylene]amino]hexanoic acid
Molecular Mass 343.769 g·mol−1
Heat of Formation -467.8 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 385.48 Å 3
Surface Area 352.31 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[[amino-[(3,5-diamino-6-chloro-pyrazin-2-yl)carbonylamino]methylidene]amino]hexanoic acid
  • 6-[[amino-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)amino]methylene]amino]hexanoic acid
  • 6-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]hexanoic acid
  • 6-[[amino-[[(3,5-diamino-6-chloro-2-pyrazinyl)-oxomethyl]amino]methylene]amino]hexanoic acid
  • amiloride caproate
  • hexanoic acid, 6-(((((3,5-diamino-6-chloropyrazinyl)carbonyl)amino)iminomethyl)amino)-
CAS Number(s)
  • 101330-34-1
InChIKey TTZQUGOPFTUCAQ-UHFFFAOYSA-N
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