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Substance Name: Nicotinamide-8-bromoadenine dinucleotide
RN: 52977-37-4
InChIKey: ISNAGOUAZGHQIY-NAJQWHGHSA-N

Molecular Formula

  • C21-H26-Br-N7-O14-P2

Molecular Weight

  • 742.3234
 
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Names and Synonyms

Name of Substance

  • Nicotinamide-8-bromoadenine dinucleotide

Synonym

  • NBrAD

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 8-bromo-, P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium inner salt

Registry Numbers

CAS Registry Number

  • 52977-37-4

System Generated Number

  • 0052977374

Structure Descriptors

InChI

1S/C21H26BrN7O14P2/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(33)13(31)10(42-20)6-40-45(37,38)43-44(35,36)39-5-9-12(30)14(32)19(41-9)28-3-1-2-8(4-28)17(24)34/h1-4,7,9-10,12-15,19-20,30-33H,5-6H2,(H5-,23,24,25,26,34,35,36,37,38)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1

InChIKey

ISNAGOUAZGHQIY-NAJQWHGHSA-N

Smiles

NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4c(Br)nc5c(N)ncnc45)[C@@H](O)[C@H]2O