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Substance Name: N(6)-(6-Bromoacetamidohexyl)-amp.pcp
RN: 66060-75-1
InChIKey: NIWCCDSEJSOTIS-XKLVTHTNSA-N

Molecular Weight

  • 711.29
 
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Names and Synonyms

Name of Substance

  • N(6)-(6-Bromoacetamidohexyl)-amp.pcp

Synonym

  • N(6)-(6-Bromoacetamidohexyl)-adenylyl-(beta,gamma-methylene)diphosphonate

Systematic Name

  • 5'-Adenylic acid, N-(6-((bromoacetyl)amino)hexyl)-, monoanhydride with methylenebis(phosphonic acid)

Registry Numbers

CAS Registry Number

  • 66060-75-1

System Generated Number

  • 0066060751

Structure Descriptors

InChI

1S/C18H30BrN6O13P3/c19-7-12(26)20-5-3-1-2-4-6-21-16-13-17(23-9-22-16)25(10-24-13)18-15(28)14(27)11(36-18)8-39(29,30)37-41(34,35)38-40(31,32)33/h9-11,14-15,18,27-28H,1-8H2,(H,20,26)(H,29,30)(H,34,35)(H,21,22,23)(H2,31,32,33)/t11-,14-,15-,18-/m1/s1

InChIKey

NIWCCDSEJSOTIS-XKLVTHTNSA-N

Smiles

O(P(=O)(O)O)[P@@](=O)(O)O[P@@](=O)(O)C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(NCCCCCCNC(=O)CBr)ncnc12