Ebrotidine

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Properties Simple | Detailed

Formula C14H17BrN6O2S3
IUPAC Name n-(4-bromophenyl)sulfonyl-n'-[2-[(2-guanidinothiazol-4-yl)methylsulfanyl]ethyl]formamidine
Molecular Mass 477.423 g·mol−1
Heat of Formation 1.4 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 468.84 Å 3
Surface Area 348.69 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • benzenesulfonamide, n-(((2-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)ethyl)amino)methylene)-4-bromo-, (e)-
  • ebrocit
  • ebrotidina [spanish]
  • ebrotiding
  • ebrotidinum [latin]
  • fi-3542
  • n-(4-bromophenyl)sulfonyl-n'-[2-[(2-guanidino-4-thiazolyl)methylthio]ethyl]formamidine
  • n-(4-bromophenyl)sulfonyl-n'-[2-[(2-guanidinothiazol-4-yl)methylsulfanyl]ethyl]formamidine
  • n-(4-bromophenyl)sulfonyl-n'-[2-[(2-guanidinothiazol-4-yl)methylthio]ethyl]formamidine
  • n-(4-bromophenyl)sulfonyl-n'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide
  • p-bromo-n-(((2-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)ethyl)amino)methylene)benzenesulfonamide
CAS Number(s)
  • 100981-43-9
InChIKey ZQHFZHPUZXNPMF-UHFFFAOYSA-N
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DOI
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