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Substance Name: 6-(4'-(4''-Carboxyphenoxy)butyl)-2,10-dimercapto-2,10-dimethyl-4,8-diazaundecane
RN: 137932-18-4
InChIKey: OYLIDFBKZMSJII-UHFFFAOYSA-H

Molecular Formula

  • C26-H41-N3-O5-S2.2B-F4.2H

Molecular Weight

  • 715.3797
 
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Names and Synonyms

Name of Substance

  • 6-(4'-(4''-Carboxyphenoxy)butyl)-2,10-dimercapto-2,10-dimethyl-4,8-diazaundecane

Synonyms

  • 1-((4-((6-((2-Mercapto-2-methylpropyl)amino)-5-(((2-mercapto-2-methylpropyl)amino)methyl)hexyl)oxy)benzoyl)oxy)-2,5-pyrrolidinedione bis(tetrafluoroborate(1-))
  • Nhs-bat ester

Systematic Name

  • 2,5-Pyrrolidinedione, 1-((4-((6-((2-mercapto-2-methylpropyl)amino)-5-(((2-mercapto-2-methylpropyl)amino)methyl)hexyl)oxy)benzoyl)oxy)-, bis(tetrafluoroborate(1-))

Registry Numbers

CAS Registry Number

  • 137932-18-4

System Generated Number

  • 0137932184

Molecular Formulas

Molecular Formula

  • C26-H41-N3-O5-S2.2B-F4.2H

Molecular Formula Fragments

  • B-F4
  • C26-H41-N3-O5-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C26H41N3O5S2.2B.8FH/c1-25(2,35)17-27-15-19(16-28-18-26(3,4)36)7-5-6-14-33-21-10-8-20(9-11-21)24(32)34-29-22(30)12-13-23(29)31;;;;;;;;;;/h8-11,19,27-28,35-36H,5-7,12-18H2,1-4H3;;;8*1H/q;2*+3;;;;;;;;/p-6

InChIKey

OYLIDFBKZMSJII-UHFFFAOYSA-H

Smiles

[H+].[H+].[B+3].[B+3].CC(C)(CNCC(CCCCOc1ccc(cc1)C(=O)ON2C(=O)CCC2=O)CNCC(C)(C)S)S.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-]