
 Chlorpromazine N-oxide

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.9280   -7.6709   -0.8929 C   0  0  0  0  0
    3.8227   -6.9814   -2.2289 N   0  0  0  0  0
    5.1554   -7.0726   -2.9232 C   0  0  0  0  0
    2.7240   -7.6574   -3.0400 C   0  0  0  0  0
    2.5320   -7.1683   -4.4729 C   0  0  0  0  0
    2.0863   -5.7004   -4.5902 C   0  0  0  0  0
    1.8067   -5.3386   -6.0132 N   0  0  0  0  0
    2.9665   -5.3763   -6.8392 C   0  0  0  0  0
    4.1142   -4.6432   -6.4768 C   0  0  0  0  0
    5.2805   -4.6854   -7.2437 C   0  0  0  0  0
    5.3193   -5.4542   -8.3997 C   0  0  0  0  0
    4.1864   -6.1636   -8.7955 C   0  0  0  0  0
    3.0078   -6.1198   -8.0332 C   0  0  0  0  0
    1.6296   -7.0922   -8.6083 S   0  0  0  0  0
    0.2908   -6.4391   -7.6300 C   0  0  0  0  0
    0.5037   -5.6831   -6.4607 C   0  0  0  0  0
   -0.6258   -5.2033   -5.7689 C   0  0  0  0  0
   -1.9180   -5.5000   -6.2033 C   0  0  0  0  0
   -2.1187   -6.2745   -7.3385 C   0  0  0  0  0
   -1.0153   -6.7405   -8.0515 C   0  0  0  0  0
   -3.2740   -4.8943   -5.3341 Cl  0  0  0  0  0
    3.5054   -5.6683   -2.0062 O   0  0  0  0  0
    2.9545   -7.5909   -0.4016 H   0  0  0  0  0
    4.6935   -7.1506   -0.3103 H   0  0  0  0  0
    4.2031   -8.7142   -1.0675 H   0  0  0  0  0
    5.9081   -6.6572   -2.2471 H   0  0  0  0  0
    5.1081   -6.4700   -3.8325 H   0  0  0  0  0
    5.3545   -8.1244   -3.1417 H   0  0  0  0  0
    1.8022   -7.5250   -2.4615 H   0  0  0  0  0
    2.9800   -8.7237   -3.0514 H   0  0  0  0  0
    1.7717   -7.8082   -4.9390 H   0  0  0  0  0
    3.4499   -7.3384   -5.0454 H   0  0  0  0  0
    2.8456   -5.0247   -4.1909 H   0  0  0  0  0
    1.2083   -5.5421   -3.9540 H   0  0  0  0  0
    4.1037   -4.0076   -5.5939 H   0  0  0  0  0
    6.1510   -4.1103   -6.9376 H   0  0  0  0  0
    6.2248   -5.4941   -8.9993 H   0  0  0  0  0
    4.2287   -6.7557   -9.7066 H   0  0  0  0  0
   -0.4984   -4.5573   -4.9039 H   0  0  0  0  0
   -3.1231   -6.5080   -7.6807 H   0  0  0  0  0
   -1.1799   -7.3381   -8.9459 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
M  CHG  2   2   1  22  -1
M  END

>  <Chemical Name>
Chlorpromazine N-oxide

>  <PubChem CID>
443037

>  <Formula>
C17H19ClN2OS

>  <Molecular Weight>
334.862000

>  <IUPAC Name>
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine oxide

>  <XlogP>
4.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[O-]

>  <Isomeric SMILES>
C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[O-]

>  <InChI Std. ID>
InChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3

>  <InChI Key>
LFDFWIIFGRXCFR-UHFFFAOYSA-N

