Mrv0541 03101415442D          

  6  6  0  0  0  0            999 V2000
    5.4929   -1.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5728   -0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1603   -1.8072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8277   -1.3222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7479   -0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2986    0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  3  1  0  0  0  0
  5  2  1  0  0  0  0
  2  4  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:5141

> <NAME>
fomepizole

> <DEFINITION>
A member of the class of  pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.

> <STAR>
3

> <SYNONYM>
4-Methylpyrazole; 4-Methylpyrazol

> <IUPAC_NAME>
4-methyl-1H-pyrazole

> <INN>
fomepizolum; fomepizole; fomepizol

> <BRAND_NAME>
Antizol

> <FORMULA>
C4H6N2

> <MASS>
82.10380

> <MONOISOTOPIC_MASS>
82.05310

> <CHARGE>
0

> <SMILES>
Cc1cn[nH]c1

> <INCHI>
InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)

> <INCHIKEY>
RIKMMFOAQPJVMX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
105204

> <CAS_REGISTRY_NUMBER>
7554-65-6

> <REAXYS_REGISTRY_NUMBER>
105204

> <CHEMIDPLUS>
7554-65-6

> <DRUGBANK_ACCESSION>
DB01213

> <KEGG_COMPOUND_ACCESSION>
C07837

> <KEGG_DRUG_ACCESSION>
D00707

> <LINCS_ACCESSION>
LSM-5671

> <NIST_CHEMISTRY_WEBBOOK>
7554-65-6

> <PDBECHEM_ACCESSION>
4PZ

> <WIKIPEDIA_ACCESSION>
Fomepizole

> <PUBMED_CITATION>
11172179; 11899949; 16035197; 22554311

$$$$