PROCHLORPERAZINE MALEATE(84-02-6) 1H NMR
Product NamePROCHLORPERAZINE MALEATE
CAS84-02-6
Molecular FormulaC28H32ClN3O8S
Molecular Weight606.09
InChIInChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey DSKIOWHQLUWFLG-SPIKMXEPSA-N
SmilesN1(CCCN2CCN(C)CC2)C2C=CC=CC=2SC2C=CC(Cl)=CC1=2.C(/C(=O)O)=C/C(=O)O.C(/C(=O)O)=C/C(=O)O
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MassMS-IW-4301 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine dimaleate 1/2C20H24ClN3S C4H4O4(Mass of molecular ion: 373)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 1.1 17.0 1.3 18.0 7.2 25.0 1.3 26.0 10.8 27.0 5.3 28.0 5.6 29.0 1.7 30.0 1.3 36.0 1.0 39.0 1.2 41.0 4.4 42.0 14.7 43.0 21.1 44.0 12.7 45.0 7.4 46.0 1.5 53.0 2.4 54.0 9.6 55.0 5.6 56.0 8.4 57.0 5.9 58.0 12.4 59.0 1.0 63.0 1.0 68.0 1.5 69.0 2.3 70.0 75.4 71.0 19.9 72.0 12.3 77.0 1.2 82.0 3.2 83.0 4.9 84.0 7.2 85.0 8.9 86.0 1.4 95.0 1.1 96.0 3.7 97.0 6.7 98.0 10.7 99.0 8.1 100.0 1.4 111.0 12.5 112.0 2.3 113.0 100.0 114.0 12.2 124.0 1.1 125.0 1.8 126.0 1.5 127.0 22.1 128.0 2.1 138.0 1.4 139.0 6.1 140.0 3.5 141.0 61.7 142.0 5.9 152.0 1.6 153.0 1.3 154.0 1.4 164.0 1.0 166.0 1.6 167.0 1.9 171.0 1.0 178.0 1.2 179.0 1.1 188.0 1.3 196.0 2.6 197.0 3.4 198.0 7.3 199.0 2.3 200.0 1.7 201.0 2.6 210.0 1.6 211.0 2.6 212.0 7.1 213.0 2.9 214.0 9.0 215.0 1.9 216.0 2.9 223.0 1.6 232.0 12.6 233.0 18.9 234.0 7.2 235.0 7.2 236.0 1.7 237.0 1.2 238.0 2.1 239.0 1.4 246.0 10.6 247.0 10.1 248.0 5.3 249.0 3.8 258.0 1.7 259.0 4.1 260.0 7.0 261.0 2.5 262.0 2.4 272.0 16.6 273.0 13.9 274.0 8.4 275.0 5.3 276.0 1.2 302.0 1.5 303.0 1.1 316.0 6.0 317.0 1.6 318.0 2.3 329.0 3.6 330.0 1.5 331.0 1.8 338.0 4.0 339.0 1.4 371.0 5.3 372.0 1.7 373.0 91.7 374.0 22.3 375.0 35.1 376.0 8.0 377.0 2.2
400 MHz in DMSO-d6 at 60.C
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C20 H24 Cl N3 S 0.038 g : 0.5 ml DMSO-d6 at 60C 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine dimaleate 
Assign. Shift(ppm)
A 7.223 B 7.148 C 7.134 D 7.06 E 7.05 F 6.981 G 6.98 J 6.147 K 3.949 L *1 3.05 M *1 2.71 N 2.684 P 2.624 R 1.866 HSP-44-317 AT ROOM TEMP. J(C,F)=8.4HZ J(E,F)=2.0HZ
Hz ppm Int.2888.55 7.228 33 2887.70 7.226 44 2887.08 7.225 46 2886.23 7.222 44 2880.49 7.208 34 2878.91 7.204 38 2862.30 7.163 49 2860.96 7.159 52 2855.47 7.145 118 2854.86 7.144 99 2853.39 7.140 69 2847.41 7.125 124 2823.49 7.065 63 2819.34 7.055 88 2817.26 7.050 111 2795.53 6.995 49 2794.43 6.993 108 2792.36 6.988 70 2788.09 6.977 62 2786.87 6.974 74 2786.25 6.972 82 2784.18 6.967 57 2780.64 6.958 30 2779.54 6.955 30 2456.79 6.148 1000 1585.08 3.967 49 1578.37 3.950 92 1571.53 3.933 52 1218.87 3.050 96 1080.93 2.705 82 1072.88 2.685 448 1056.15 2.643 53 1049.07 2.625 88 1041.87 2.607 55 752.81 1.884 43 745.73 1.866 60 738.89 1.849 42
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1H NMR 399.65 MHz C20 H24 Cl N3 S 0.038 g : 0.5 ml DMSO-d6 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine dimaleate Assign. Shift(ppm)
A 7.243 B 7.179 C 7.168 D 7.09 E 7.08 F 7.011 G 6.996 J 6.173 K 3.946 L *1 3.08 M *1 2.7 N 2.706 P 2.631 R 1.861 HSP-44-325 AT 60C
Hz ppm Int.2896.24 7.247 30 2895.39 7.245 38 2894.90 7.244 39 2894.04 7.242 36 2886.72 7.224 32 2874.39 7.193 50 2872.92 7.189 51 2869.14 7.180 112 2866.70 7.174 67 2865.23 7.170 58 2860.96 7.159 138 2835.33 7.095 80 2833.25 7.090 112 2824.34 7.068 39 2823.61 7.066 38 2807.01 7.024 69 2804.93 7.019 62 2803.22 7.015 38 2802.12 7.012 35 2798.83 7.004 56 2796.75 6.998 60 2795.78 6.996 59 2794.68 6.993 51 2467.04 6.174 1000 1584.23 3.965 32 1577.51 3.948 62 1570.80 3.931 34 1081.67 2.707 298 1058.47 2.649 36 1051.51 2.632 56 1044.31 2.614 36 743.90 1.862 39
in DMSO-d6
KBr disc
nujol mull
