Marvin  06250716462D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:44423

> <NAME>
hydroxyurea

> <DEFINITION>
A member of the class of ureas that is urea in which one of the hydrogens is replaced by a hydroxy group. An antineoplastic used in the treatment of chronic myeloid leukaemia as well as for sickle-cell disease.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44420; CHEBI:5816

> <SYNONYM>
oxyurea; N-HYDROXYUREA; N-carbamoylhydroxylamine; hydroxyurea; Hydroxyurea; Hydroxyharnstoff; Hydroxycarbamide; Hydroxycarbamid; hydrea; carbamyl hydroxamate; carbamoyl oxime; carbamohydroximic acid; carbamohydroxamic acid

> <IUPAC_NAME>
N-hydroxyurea

> <INN>
hydroxycarbamidum; hydroxycarbamide; hydroxycarbamide; hidroxicarbamida

> <FORMULA>
CH4N2O2

> <MASS>
76.05474

> <MONOISOTOPIC_MASS>
76.02728

> <CHARGE>
0

> <SMILES>
NC(=O)NO

> <INCHI>
InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)

> <INCHIKEY>
VSNHCAURESNICA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1741548

> <CAS_REGISTRY_NUMBER>
127-07-1

> <GMELIN_REGISTRY_NUMBER>
130423

> <REAXYS_REGISTRY_NUMBER>
1741548

> <CHEMIDPLUS>
127-07-1

> <DRUGBANK_ACCESSION>
DB01005

> <KEGG_COMPOUND_ACCESSION>
C07044

> <KEGG_DRUG_ACCESSION>
D00341

> <METACYC_ACCESSION>
HYDROXY-UREA

> <PDBECHEM_ACCESSION>
NHY

> <WIKIPEDIA_ACCESSION>
Hydroxyurea

> <PUBMED_CITATION>
11285159; 11298103; 11364534; 11365149; 11391710; 12107454; 14988684; 15772364; 15994344; 16356682; 22983419; 23318979; 23643402; 23696560; 9271088

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