Taltirelin hydrate

Molecular Formula: C17H31N7O9


InChI: InChI=1/C17H23N7O5.4H2O/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26;;;;/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29);4*1H2/t10-,11-,12-;;;;/m0..../s1/f/h20-22H,18H2;;;;

InChIKey: InChIKey=HRCJDWMUKPHPHR-IFMAHKJPDD
SMILES: CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O

Names:
    Ceredist (TN)
    Ceredist
    D01925
    Taltirelin hydrate (JAN)
    Taltirelin hydrate
    (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxo-propan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide tetrahydrate
    201677-75-0

Registries:
    PubChem CID 656609
    PubChem ID 7848987