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Home > Encyclopedia > 6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene

6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene

6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene structure

6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene 

structure
  • CAS No:

    111712-15-3

  • Formula:

    C16H13F3N3OS+

  • Chemical Name:

    6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene

  • Synonyms:

    AG-2000 free base;111712-15-3;UNII-7EMR32786O;7EMR32786O;4-methyl-3-(2,2,2-trifluoroethoxy)-5H-benzo[4,5]imidazo[1,2-b]pyrido[1,2-d][1,2,4]thiadiazin-13-ium;Lansoprazole sulfenamide active metabolite;AG2000 Free Base;DTXSID50149711;Q27268165

6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene Basic Attributes

352.4 g/mol

352.07314271 g/mol

7EMR32786O

DTXSID50149711

Characteristics

56.2 Ų

Computed Properties

Molecular Weight:352.4
XLogP3:4.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:352.07314271
Monoisotopic Mass:352.07314271
Topological Polar Surface Area:56.2
Heavy Atom Count:24
Formal Charge:1
Complexity:466
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene

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