1963
  CDK     1106202311

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.6500    0.3456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    2.4214    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5298   -2.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8159   -0.7492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2284    1.0582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1244   -0.9855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7352   -1.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0726   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5592   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4034    1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7428    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -2.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6286   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5102    2.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    3.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8648    2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296    3.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  3 17  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4 10  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5 11  2  0  0  0  0 
  5 12  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7 13  2  0  0  0  0 
  8  9  2  0  0  0  0 
  8 14  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 15  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  2  0  0  0  0 
 15 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
 16 21  2  0  0  0  0 
 18 19  1  0  0  0  0 
 20 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 23 24  2  0  0  0  0 
M  END
> <ID>
CHEBI:166535

> <NAME>
alpha-Hydroxytriazolam

> <STAR>
2

> <IUPAC_NAME>
[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol

> <FORMULA>
C17H12Cl2N4O

> <MASS>
359.210

> <MONOISOTOPIC_MASS>
358.03882

> <CHARGE>
0

> <SMILES>
ClC1=CC2=C(N3C(=NN=C3CO)CN=C2C=4C(Cl)=CC=CC4)C=C1

> <INCHI>
InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2

> <INCHIKEY>
BHUYWUDMVCLHND-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
37115-45-0

> <CHEMIDPLUS>
37115-45-0

$$$$