1-Propanethiol, 3-((2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:3)

Molecular Formula: C30H64N4O9P2S2


InChI: InChI=1/2C15H29N2O3PS.3H2O/c2*18-21(19,20)22-5-1-2-16-3-4-17-15-9-12-6-13(10-15)8-14(7-12)11-15;;;/h2*12-14,16-17H,1-11H2,(H2,18,19,20);3*1H2/f/h2*18-19H;;;

InChIKey: InChIKey=RRUKAQNLKQSKNV-BKEZWQTACM
SMILES: C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.O.O.O

Names:
    S-(N-(N-(Adamantyl-1)-2-aminoethyl)-3-aminopropyl)thiophosphoric acid sesquihydrate
    1-Propanethiol, 3-((2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:3)
    3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid trihydrate
    88313-58-0

Registries:
    PubChem CID 64536
    PubChem ID 206482