Mrv0541 03131417102D          

 14 16  0  0  0  0            999 V2000
    1.7292   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002   -1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582   -0.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582   -1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436   -0.1632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436   -1.8132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712   -1.9528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356   -2.7064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6152   -2.6203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4143   -0.1632    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
 11  8  2  0  0  0  0
 10  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 13 12  2  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <ID>
CHEBI:77693

> <NAME>
CTBT

> <DEFINITION>
An organic heterotricyclic compound that is tetrazolo[5,1-c][1,2,4]benzotriazine substituted at position 7 by a chloro group. An antifungal and chemosensitising agent that induces oxidative stress in yeast and filamentous fungi and enhances the cytotoxic activity of 5-fluorocytosine and azole antimycotics.

> <STAR>
3

> <SYNONYM>
7-chlorotetrazolo[5,1-c]benzo[1.2.4]triazine

> <IUPAC_NAME>
7-chlorotetrazolo[5,1-c][1,2,4]benzotriazine

> <FORMULA>
C7H3ClN6

> <MASS>
206.59200

> <MONOISOTOPIC_MASS>
206.01077

> <CHARGE>
0

> <SMILES>
Clc1ccc2c(c1)nnc1nnnn21

> <INCHI>
InChI=1S/C7H3ClN6/c8-4-1-2-6-5(3-4)9-10-7-11-12-13-14(6)7/h1-3H

> <INCHIKEY>
MFYMBIZGFDNLPT-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
12163903

> <PUBMED_CITATION>
17204400; 20202201; 22212016; 22909133; 23176778; 23939632

$$$$