MYCOBUTIN (rifabutin).cdx
csChFnd80/01301310042D

 61 66  0  0  0  0  0  0  0  0999 V2000
    4.9500    9.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9500    8.3927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3749    9.7927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1624   10.4927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7997    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873   10.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0122    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2246    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2246    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0122   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418   10.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1624   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3749    8.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4328    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0122    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3749    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3749    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7376    7.6927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7376    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5293    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5293    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1624    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1624    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1624    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7376    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1624    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1494    1.1164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2204    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4328    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4328    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2204    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6411    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0575    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8493    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1624    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    8.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087   10.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  1 11  1  6  0  0  0
  4 12  1  6  0  0  0
  3 13  1  6  0  0  0
  8 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  0  0  0  0
 18 23  2  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 20  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 25 36  1  6  0  0  0
 26 37  1  6  0  0  0
 37 38  1  0  0  0  0
  6 39  1  1  0  0  0
 32 40  1  0  0  0  0
 40 41  1  0  0  0  0
 29 41  1  0  0  0  0
 33 42  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 41 44  1  6  0  0  0
 22 45  1  0  0  0  0
 21 46  2  0  0  0  0
 45 47  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 47  1  0  0  0  0
 50 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  0  0  0  0
  2 57  1  1  0  0  0
 24 58  1  1  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 59 61  1  0  0  0  0
M  END
>  <Mol_ID> (1)
523

>  <Formula> (1)
C46H62N4O11

>  <MolWeight> (1)
847.00468

>  <Item Name> (1)
Rifabutin (Mycobutin)

>  <Catalog Number> (1)
S1741

>  <Synonyms> (1)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (1)
Others

>  <URL> (1)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (1)
72559-06-9

$$$$
