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Substance Name: EINECS 246-129-8
RN: 24292-60-2
UNII: 1ZCR3Z51KV
InChIKey: WSDDJLMGYRLUKR-WUEGHLCSSA-L

Molecular Formula

  • C21-H28-N7-O17-P3.2Na

Molecular Weight

  • 787.3704
 
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Names and Synonyms

Results Name

  • EINECS 246-129-8

Name of Substance

  • Nadide phosphate disodium

Synonyms

  • EC 246-129-8
  • EINECS 246-129-8
  • UNII-1ZCR3Z51KV

Systematic Names

  • Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5' -> 5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, disodium salt
  • Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate),5',5'-ester with 3-(aminocarbonyl)-1-beta-d-ribofuranosylpyridini um hydroxide, inner salt, disodium salt

Registry Numbers

CAS Registry Number

  • 24292-60-2

FDA UNII

  • 1ZCR3Z51KV

System Generated Number

  • 0024292602

Molecular Formulas

Molecular Formula

  • C21-H28-N7-O17-P3.2Na

Molecular Formula Fragments

  • C21-H28-N7-O17-P3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H28N7O17P3.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;/q;2*+1/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1

InChIKey

WSDDJLMGYRLUKR-WUEGHLCSSA-L

Smiles

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)[O-])O)O)O)C(=O)N.[Na+].[Na+]