PROCAINE ADENYLATE

Molecular Formula: C₂₃H₃₄N₇O₉P

InChI: InChI=1/C13H20N2O2.C10H14N5O7P/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h5-8H,3-4,9-10,14H2,1-2H3;2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t;4-,6-,7-,10-/m.1/s1/f/h;18-19H,11H2

InChIKey: InChIKey=MOXPAJFQYXNAJL-AETGALKTDD
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

Names:
    PROCAINE ADENYLATE
    7681-16-5
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid; 2-diethylaminoethyl 4-aminobenzoate

Registries:
    PubChem CID 24332
    PubChem ID 166849