3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate

Molecular Formula: C18H22N6O11P2


InChI: InChI=1/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)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)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1/f/h27-28,30H,19H2

InChIKey: InChIKey=ANMCUTJZONROBG-ZNHHPEQODY
SMILES: CNC1=CC=CC=C1C(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)O

Names:
    Adenosine 5'-(trihydrogen diphosphate), 3'-(2-(methylamino)benzoate)
    Adenosine 5'-(trihydrogen diphosphate), 3'-[2-(methylamino)benzoate] (9CI)
    adenosine, 3'-[2-(methylamino)benzoate] 5'-(trihydrogen diphosphate)
    3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate
    3'-O-(N-methylanthraniloyl)-ADP
    85287-55-4
    [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(2-methylaminobenzoyl)oxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

Registries:
    PubChem CID 2826726
    PubChem ID 3288086