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5,5-Dioxo-N,N'-Bis-(4-phenylbutyl)-phenothiazine-2,8-dimethaneamine-dihydrochloride
SpectraBase Compound ID 3hzUi4490iR
InChI InChI=1S/C34H39N3O2S.2ClH/c38-40(39)33-19-17-29(25-35-21-9-7-15-27-11-3-1-4-12-27)23-31(33)37-32-24-30(18-20-34(32)40)26-36-22-10-8-16-28-13-5-2-6-14-28;;/h1-6,11-14,17-20,23-24,35-37H,7-10,15-16,21-22,25-26H2;2*1H
InChIKey APLDQJZPVALFLV-UHFFFAOYSA-N
Mol Weight 626.69 g/mol
Molecular Formula C34H41Cl2N3O2S
Exact Mass 625.229654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lKfCvAhkNq
Name 5,5-Dioxo-N,N'-Bis-(4-phenylbutyl)-phenothiazine-2,8-dimethaneamine-dihydrochloride
Alternate Name(s) 2,8-bis(((4-phenylbutyl)amino)methyl)-10H-phenothiazine 5,5-dioxide dihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H41Cl2N3O2S
InChI InChI=1S/C34H39N3O2S.2ClH/c38-40(39)33-19-17-29(25-35-21-9-7-15-27-11-3-1-4-12-27)23-31(33)37-32-24-30(18-20-34(32)40)26-36-22-10-8-16-28-13-5-2-6-14-28;;/h1-6,11-14,17-20,23-24,35-37H,7-10,15-16,21-22,25-26H2;2*1H
InChIKey APLDQJZPVALFLV-UHFFFAOYSA-N
Molecular Weight 626.687 g/mol
SMILES Cl.N1c2cc(ccc2S(c2ccc(CNCCCCc3ccccc3)cc12)(=O)=O)CNCCCCc1ccccc1.Cl
SPLASH splash10-000i-9000820000-9899f51be83b058b10f5
Source of Spectrum APC-325-238-2
Wiley ID 1799087