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Substance Name: 2'-O-(N-Methylanthraniloyl)ATP
RN: 130799-34-7
InChIKey: OTIXVXNMFVNGEF-LSCFUAHRSA-N

Molecular Formula

  • C18-H23-N6-O14-P3

Molecular Weight

  • 640.33
 
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Names and Synonyms

Name of Substance

  • 2'-O-(N-Methylanthraniloyl)ATP

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), 2'-(2-(methylamino)benzoate)

Registry Numbers

CAS Registry Number

  • 130799-34-7

System Generated Number

  • 0130799347

Structure Descriptors

InChI

1S/C18H23N6O14P3/c1-20-10-5-3-2-4-9(10)18(26)36-14-13(25)11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(14)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1

InChIKey

OTIXVXNMFVNGEF-LSCFUAHRSA-N

Smiles

C([C@@H]1[C@@H](O)[C@H]([C@@H](O1)n1cnc2c(N)ncnc12)OC(c1c(cccc1)NC)=O)O[P@@](O[P@@](OP(=O)(O)O)(=O)O)(=O)O