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Substance Name: beta-Methylene thiazole-4-carboxamide adenine dinucleotide
RN: 102977-57-1
InChIKey: CRWWKLKZKYLFQV-HVIRUEHBSA-N

Note

  • A phosphodiesterase-resistant analog of TAD.

Molecular Formula

  • C20-H27-N7-O13-P2-S

Molecular Weight

  • 667.483
 
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Names and Synonyms

Name of Substance

  • beta-Methylene thiazole-4-carboxamide adenine dinucleotide

Synonyms

  • beta-Methylene tad
  • beta-Tad
  • NSC 617998

Systematic Name

  • Adenosine, 5'-(hydrogen (phosphonomethyl)phosphonate), 5'-ester with 2-beta-D-ribofuranosyl-4-thiazolecarboxamide

Registry Numbers

CAS Registry Number

  • 102977-57-1

System Generated Number

  • 0102977571

Structure Descriptors

InChI

1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1

InChIKey

CRWWKLKZKYLFQV-HVIRUEHBSA-N

Smiles

O[P@@](=O)(OC[C@H]1O[C@@H](c2scc(n2)C(N)=O)[C@@H](O)[C@@H]1O)C[P@@](=O)(OC[C@@H]1[C@H]([C@H]([C@@H](n2cnc3c(ncnc23)N)O1)O)O)O