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Substance Name: Nicotinamide 8-azidoadenine dinucleotide
RN: 134388-69-5
InChIKey: TVIGBUPFTOPLFH-NAJQWHGHSA-N

Molecular Formula

  • C21-H28-N10-O14-P2

Molecular Weight

  • 706.4562
 
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Names and Synonyms

Name of Substance

  • Nicotinamide 8-azidoadenine dinucleotide

Synonyms

  • (A)-8-Azido-NAD+
  • 8-Azido-NAD

Systematic Name

  • Adenosine, 5'-(trihydrogen diphosphate), 8-azido-, P'-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide

Registry Numbers

CAS Registry Number

  • 134388-69-5

System Generated Number

  • 0134388695

Structure Descriptors

InChI

1S/C21H28N10O14P2/c22-16-11-18(26-7-25-16)31(21(27-11)28-29-24)20-15(35)13(33)10(44-20)6-42-47(39,40)45-46(37,38)41-5-9-12(32)14(34)19(43-9)30-3-1-2-8(4-30)17(23)36/h1,3-4,7,9-10,12-15,19-20,32-35H,2,5-6H2,(H2,23,36)(H,37,38)(H,39,40)(H2,22,25,26)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1

InChIKey

TVIGBUPFTOPLFH-NAJQWHGHSA-N

Smiles

c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N