Ocaphane

Molecular Formula: C₁₄H₂₂Cl₄N₂O₂

InChI: InChI=1/C14H20Cl2N2O2.2ClH/c15-5-7-18(8-6-16)10-12-4-2-1-3-11(12)9-13(17)14(19)20;;/h1-4,13H,5-10,17H2,(H,19,20);2*1H/fC14H22Cl2N2O2.2Cl/h17-19H;2*1h/q+2;2*-1

InChIKey: InChIKey=IPIMPKPAJIIOMJ-FOQIMFPSCP
SMILES: C1=CC=C(C(=C1)CC(C(=O)O)[NH3+])C[NH+](CCCl)CCCl.[Cl-].[Cl-]

Names:
    Alanine, 3-(alpha-(bis(2-chloroethyl)amino)-o-tolyl)-, dihydrochloride (8CI)
    ALANINE, 3-(o-((BIS(2-CHLOROETHYL)AMINO)METHYL)PHENYL)-, DIHYDROCHLORIDE
    AT 581
    AT-581
    Ocaphane
    o-Bis(2-chloroethyl)aminomethylphenylalanine hydrochloride
    Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride (9CI)
    2185-98-0
    3-(o-((Bis(2-chloroethyl)amino)methyl)phenyl)alanine dihydrochloride
    3734-80-3
    [2-(2-azaniumyl-2-carboxy-ethyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride

Registries:
    PubChem CID 16604
    PubChem ID 159831