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
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