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Substance Name: N(2),N(2)'-Adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)
RN: 69861-86-5
InChIKey: UVFMQDUXFSGECC-KDGHBASLSA-N

Molecular Formula

  • C52-H68-N18-O32-P4

Molecular Weight

  • 1581.0992
 
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Names and Synonyms

Name of Substance

  • N(2),N(2)'-Adipodihydrazido-bis-(N(6)-carbonylmethyl-NAD)

Synonyms

  • Bis-NAD
  • N2,N2'-Adipodihydrazido-bis-(N6-carbonylmethyl-NAD)

Systematic Name

  • Hexanedioic acid, bis(2-(((9-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-9H-purin-6-yl)amino)acetyl)hydrazide), P'-5',P'''-5'''-diester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, bis(inner salt)

Registry Numbers

CAS Registry Number

  • 69861-86-5

System Generated Number

  • 0069861865

Structure Descriptors

InChI

1S/C52H68N18O32P4/c53-39(78)22-3-1-9-67(14-22)49-37(76)35(74)26(99-49)18-93-32(73)11-52(51(81)82,28(71)12-57-41-33-45(63-43(61-41)47(80)65-55)69(20-59-33)30-7-5-24(97-30)16-95-105(89,90)101-103(83,84)85)29(72)13-58-42-34-46(70(21-60-34)31-8-6-25(98-31)17-96-106(91,92)102-104(86,87)88)64-44(62-42)48(66-56)94-19-27-36(75)38(77)50(100-27)68-10-2-4-23(15-68)40(54)79/h1-4,9-10,14-15,24-27,30-31,35-38,48-50,56,59-60,74-75H,5-8,11-13,16-21,55H2,(H2,53,78)(H2,54,79)(H,65,80)(H,81,82)(H,89,90)(H,91,92)(H,57,61,63)(H,58,62,64)(H2,83,84,85)(H2,86,87,88)/t24-,25-,26+,27+,30+,31+,35+,36+,37+,38+,48?,49+,50+,52?/m0/s1

InChIKey

UVFMQDUXFSGECC-KDGHBASLSA-N

Smiles

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(c3nc(c4c(n3)N(CN4)[C@H]5CC[C@H](O5)COP(=O)(O)OP(=O)(O)O)NCC(=O)C(CC(=O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)[n+]7cccc(c7)C(=O)N)[O-])O)(C(=O)CNc8c9c(nc(n8)C(=O)NN)N(CN9)[C@H]1CC[C@H](O1)COP(=O)(O)OP(=O)(O)O)C(=O)O)N=N)O)[O-])C(=O)N