Marvin  05131013072D          

 11 10  0  0  0  0            999 V2000
    4.3338  -15.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0487  -14.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3338  -15.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189  -14.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976  -14.7177    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    6.4676  -14.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7638  -15.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1827  -15.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125  -15.1301    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4676  -13.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1827  -13.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
M  ISO  1   5 203
M  END
> <ID>
CHEBI:59462

> <NAME>
chlormerodrin ((203)Hg)

> <DEFINITION>
Chlormerodrin containing the radioactive isotope 203Hg. It was formerly used as a diagnostic aid in determination of renal function.

> <STAR>
3

> <SYNONYM>
chloro(2-methoxy-3-ureidopropyl)((203)Hg)mercury(II); chlormerodrin Hg 203; chlormerodrin (203Hg); 3-ureido-2-methoxypropyl((203)Hg)mercury(II) chloride

> <IUPAC_NAME>
[3-(carbamoylamino)-2-methoxypropyl](chloro)((203)Hg)mercury

> <FORMULA>
C5H11Cl[203Hg]N2O2

> <MASS>
369.580

> <MONOISOTOPIC_MASS>
369.02376

> <CHARGE>
0

> <SMILES>
COC(CNC(N)=O)C[203Hg]Cl

> <INCHI>
InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1+2

> <INCHIKEY>
BJFGVYCULWBXKF-NGAFWABFSA-M

> <CAS_REGISTRY_NUMBER>
2042-50-4

> <CHEMIDPLUS>
2042-50-4

> <DRUGBANK_ACCESSION>
DB00534

> <KEGG_DRUG_ACCESSION>
D03466

$$$$