Iofetamine (123I)
  CDK     0222171956

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.3562   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -1.9735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -2.2560    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  2  0  0  0  0 
  3  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 13  2  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
M  ISO  1  14 123
M  END
> <ID>
CHEBI:31708

> <NAME>
Iofetamine hydrochloride I 123

> <STAR>
2

> <SYNONYM>
Spectamine (TN); N-Isopropyl-p-iodoamphetamine(123I) hydrochloride; Iofetamine I 123; Iofetamine hydrochloride I 123; 123I-Spectamine; 123I-IMP

> <FORMULA>
C12H18[123I]N

> <MASS>
299.189

> <MONOISOTOPIC_MASS>
299.04952

> <CHARGE>
0

> <SMILES>
C(C(NC(C)C)C)C1=CC=C(C=C1)[123I]

> <INCHI>
InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/i13-4

> <INCHIKEY>
ISEHJSHTIVKELA-DCWJVSPSSA-N

> <CAS_REGISTRY_NUMBER>
85068-76-4

> <KEGG_DRUG_ACCESSION>
D01570

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