Thioproperazine dimesylate(2347-80-0) MS
Product NameThioproperazine dimesylate
CAS2347-80-0
Molecular FormulaC22H30N4O2S2.2CH4O3S
Molecular Weight638.85
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MassMS-IW-3435 N,N-dimethyl-10-(3-(4-methyl-1-piperazinyl)propyl)-2-phenothiazinesulfonamide bis(methanesulfonate) 1/2C22H30N4O2S2 CH4O3S(Mass of molecular ion: 446)
Source Temperature: 200 °C Sample Temperature: 240 °C Direct, 75 eV
15.0 4.8 28.0 4.0 29.0 1.7 30.0 1.5 31.0 3.4 41.0 4.8 42.0 21.0 43.0 28.0 44.0 12.7 45.0 1.7 48.0 2.5 54.0 1.3 55.0 2.7 56.0 12.7 57.0 7.2 58.0 13.0 59.0 2.1 63.0 1.4 64.0 1.8 65.0 3.8 68.0 1.6 69.0 2.6 70.0 73.7 71.0 27.9 72.0 6.0 77.0 1.0 78.0 4.4 79.0 13.4 81.0 7.0 82.0 3.3 83.0 3.8 84.0 7.3 85.0 11.0 86.0 1.9 95.0 1.8 96.0 14.3 97.0 11.9 98.0 12.4 99.0 9.7 100.0 1.7 109.0 1.1 111.0 13.1 112.0 2.6 113.0 100.0 114.0 20.4 115.0 1.6 124.0 1.0 125.0 1.6 126.0 3.0 127.0 69.3 128.0 6.1 139.0 5.3 140.0 2.8 141.0 31.6 142.0 3.1 152.0 1.2 153.0 2.0 154.0 1.9 166.0 1.4 167.0 2.6 171.0 1.5 172.0 1.0 178.0 1.9 179.0 5.2 180.0 3.8 184.0 1.3 185.0 1.4 196.0 6.7 197.0 9.6 198.0 16.0 199.0 6.2 200.0 1.5 204.0 1.1 209.0 1.3 210.0 8.0 211.0 11.1 212.0 26.6 213.0 5.2 214.0 4.4 222.0 1.4 223.0 5.0 224.0 6.2 225.0 3.8 226.0 1.7 236.0 1.6 237.0 2.8 238.0 10.0 239.0 4.2 240.0 1.3 266.0 1.3 267.0 2.3 268.0 2.1 287.0 2.6 305.0 2.3 306.0 9.2 307.0 1.8 308.0 1.1 319.0 10.4 320.0 31.6 321.0 6.7 322.0 3.5 332.0 8.8 333.0 6.3 334.0 2.0 337.0 1.7 338.0 11.8 339.0 3.3 345.0 6.6 346.0 6.0 347.0 1.8 359.0 1.4 387.0 1.4 389.0 3.1 402.0 1.9 403.0 1.0 444.0 1.9 446.0 22.3 447.0 6.1 448.0 2.8
400 MHz in DMSO-d6 at 50C
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C22 H30 N4 O2 S2 0.042 g : 0.5 ml DMSO-d6 at 50C N,N-dimethyl-10-(3-(4-methyl-1-piperazinyl)propyl)-2-phenothiazinesulfonamide bis(methanesulfonate) 
Assign. Shift(ppm)
A 7.438 B 7.32 C 7.29 D 7.22 E 7.22 F 7.158 G 7.048 J 4.058 K 3.5 L 3.28 M 2.883 N 2.666 P 2.443 R 2.101 HSP-43-174 IN CDCL3
Hz ppm Int.2977.29 7.450 66 2969.21 7.430 89 2931.37 7.335 45 2929.69 7.331 47 2923.28 7.315 37 2921.75 7.311 45 2913.82 7.291 32 2892.76 7.239 39 2891.24 7.235 39 2883.91 7.217 95 2882.54 7.213 65 2864.23 7.167 41 2856.75 7.149 30 2816.62 7.048 40 2815.70 7.046 38 1621.86 4.059 51 1152.34 2.884 204 1065.83 2.667 745 976.87 2.445 1000
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1H NMR 399.65 MHz C22 H30 N4 O2 S2 0.038 g : 0.5 ml DMSO-d6 N,N-dimethyl-10-(3-(4-methyl-1-piperazinyl)propyl)-2-phenothiazinesulfonamide bis(methanesulfonate) Assign. Shift(ppm)
A 10. B 7.468 C 7.333 D 7.31 E 7.251 F 7.219 G 7.175 J 7.063 K 4.057 L *1 3.7 M *1 3.3 N 2.892 P 2.651 Q 2.430 R 2.09 ASSIGNED BY H-H AND C-H COSY.
Hz ppm Int.2989.35 7.480 53 2981.26 7.460 71 2935.49 7.346 32 2933.65 7.341 32 2927.40 7.325 32 2925.72 7.321 31 2895.05 7.244 36 2885.89 7.222 42 2884.37 7.218 39 1155.85 2.893 70 1059.72 2.652 518 971.37 2.431 1000
in DMSO-d6
KBr disc
nujol mull
