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Substance Name: (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate
RN: 36097-68-4
InChIKey: TVGJSGTUHNIVQU-WVSUBDOOSA-N

Note

  • Structural analog of NAD.

Molecular Weight

  • 667.3
 
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Names and Synonyms

Name of Substance

  • (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), mono(3-(4-(bromoacetyl)pyridinio)propyl) ester, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 36097-68-4

System Generated Number

  • 0036097684

Structure Descriptors

InChI

1S/C20H25BrN6O11P2/c21-8-13(28)12-2-5-26(6-3-12)4-1-7-35-39(31,32)38-40(33,34)36-9-14-16(29)17(30)20(37-14)27-11-25-15-18(22)23-10-24-19(15)27/h2-3,5-6,10-11,14,16-17,20,29-30H,1,4,7-9H2,(H3-,22,23,24,31,32,33,34)/t14-,16-,17-,20-/m1/s1

InChIKey

TVGJSGTUHNIVQU-WVSUBDOOSA-N

Smiles

C(O[P@@](OP(=O)(OCCC[n+]1ccc(cc1)C(CBr)=O)[O-])(=O)O)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1c2ncnc(c2nc1)N