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3'-(Chlorophenyl)amodiaquine [Amotebuquine]

View entire compound with spectra: 1 MS (GC)

3'-(Chlorophenyl)amodiaquine [Amotebuquine]
SpectraBase Compound ID IIWGriSGzzc
InChI InChI=1S/C26H25Cl2N3O/c1-3-31(4-2)16-18-13-21(15-23(26(18)32)17-5-7-19(27)8-6-17)30-24-11-12-29-25-14-20(28)9-10-22(24)25/h5-15,32H,3-4,16H2,1-2H3,(H,29,30)
InChIKey ZXODOMROLXVJNM-UHFFFAOYSA-N
Mol Weight 466.41 g/mol
Molecular Formula C26H25Cl2N3O
Exact Mass 465.137468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LUJNoR307i
Name 3'-(Chlorophenyl)amodiaquine [Amotebuquine]
Comments Less than 3 mono-isotopic peaks
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Formula C26H25Cl2N3O
InChI InChI=1S/C26H25Cl2N3O/c1-3-31(4-2)16-18-13-21(15-23(26(18)32)17-5-7-19(27)8-6-17)30-24-11-12-29-25-14-20(28)9-10-22(24)25/h5-15,32H,3-4,16H2,1-2H3,(H,29,30)
InChIKey ZXODOMROLXVJNM-UHFFFAOYSA-N
Molecular Weight 466.412 g/mol
SMILES N(c1c2c(cc(cc2)Cl)ncc1)c1cc(c(c(c1)-c1ccc(cc1)Cl)O)CN(CC)CC
SPLASH splash10-0006-0009400000-e432ab43b96c9393c3c7
Source of Spectrum E1-40-446-7
Synonyms 2-(4-chlorophenyl)-4-[(7-chloro-4-quinolinyl)amino]-6-(diethylaminomethyl)phenol 2-(4-chlorophenyl)-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol 4-[(7-chloranylquinolin-4-yl)amino]-2-(4-chlorophenyl)-6-(diethylaminomethyl)phenol
Wiley ID 1599158