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Substance Name: 552-02
RN: 587879-54-7
UNII: 81U49K9009
InChIKey: ZYOATBKPEFZNGP-UHFFFAOYSA-N

Molecular Formula

  • C19-H26-Cl-N7-O4.C-H4-O3-S

Molecular Weight

  • 548.018
 
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Names and Synonyms

Name of Substance

  • 552-02

Synonyms

  • 2-Pyrazinecarboxamide, 3,5-diamino-6-chloro-N-(((4-(4-(2,3-dihydroxypropoxy)phenyl)butyl)amino)iminomethyl)-, methanesulfonate (1:1)
  • 552-02
  • PS-552-02
  • UNII-81U49K9009

Registry Numbers

CAS Registry Number

  • 587879-54-7

FDA UNII

  • 81U49K9009

System Generated Number

  • 0587879547

Structure Descriptors

InChI

1S/C19H26ClN7O4.CH4O3S/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28;1-5(2,3)4/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30);1H3,(H,2,3,4)

InChIKey

ZYOATBKPEFZNGP-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1cc(ccc1CCCCNC(=N)NC(=O)c2c(nc(c(n2)Cl)N)N)OCC(CO)O