3-Amino-5-[{2-[(4-Azido-2-Hydroxybenzoyl)Amino]Ethyl}(Isopropyl)Amino]-6-Chloro-N-(Diaminomethylene)-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C18H23ClN11O3
IUPAC Name 3-amino-5-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethyl-isopropyl-amino]-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
Molecular Mass 476.900 g·mol−1
Heat of Formation -36.9 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 535.31 Å 3
Surface Area 394.02 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-5-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethyl-isopropyl-amino]-6-chloro-n-(diaminomethylene)pyrazinamide
  • 3-amino-5-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethyl-isopropyl-amino]-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
  • 3-amino-5-[2-[(4-azido-2-hydroxy-phenyl)carbonylamino]ethyl-propan-2-yl-amino]-6-chloro-n-(diaminomethylidene)pyrazine-2-carboxamide
  • 3-amino-5-[2-[(4-azido-2-hydroxybenzoyl)amino]ethyl-propan-2-ylamino]-6-chloro-n-(diaminomethylidene)pyrazine-2-carboxamide
  • 3-amino-5-[2-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]ethyl-isopropylamino]-6-chloro-n-(diaminomethylene)-2-pyrazinecarboxamide
  • 5-(n-2'-(4''-azidosalicylamidino)ethyl-n'-isopropyl)amiloride
  • asa-eia
CAS Number(s)
  • 144176-47-6
InChIKey VCPUVJLZTHDWOC-UHFFFAOYSA-N
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