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Substance Name: NAD Dimers
RN: 66844-06-2
InChIKey: BJLZXPGIQWRIKI-JJVDBIKMSA-N

Molecular Weight

  • 1326.85
 
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Names and Synonyms

Name of Substance

  • NAD Dimers

Synonym

  • Nicotinamide adenine dinucleotide dimers

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66844-06-2

System Generated Number

  • 0066844062

Structure Descriptors

InChI

1S/2C21H27N7O14P2/c2*22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h2*1-4,7-8,10-11,13-16,20-21,29-30,32H,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t2*10-,11-,13-,14-,15-,16-,20-,21-/m11/s1

InChIKey

BJLZXPGIQWRIKI-JJVDBIKMSA-N

Smiles

c1[n+](cccc1C(=O)N)[C@H]1[C@H]([O-])[C@H](O)[C@H](O1)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1c2ncnc(c2nc1)N.c1[n+](cccc1C(=O)N)[C@H]1[C@H]([O-])[C@H](O)[C@H](O1)CO[P@@](O[P@@](=O)(O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12)(=O)O