Mrv1652306131722032D          

  9  8  0  0  0  0            999 V2000
   -0.0000    1.0779    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    0.7622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622   -0.7622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0779    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622   -0.7622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622    0.7622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5529    0.0000    0.0000 Tc  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
M  ISO  1   9  99
M  END
> <DATABASE_ID>
DB09397

> <DATABASE_NAME>
drugbank

> <SMILES>
[99Tc].S1SSSSSSS1

> <INCHI_IDENTIFIER>
InChI=1S/S8.Tc/c1-2-4-6-8-7-5-3-1;/i;1+2

> <INCHI_KEY>
FJTPHHNWVXNMEK-NLQOEHMXSA-N

> <FORMULA>
S8Tc

> <MOLECULAR_WEIGHT>
355.39

> <EXACT_MASS>
354.682823946

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
20.404449707298987

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octathiocane (99Tc)technetium

> <ALOGPS_LOGP>
0.82

> <JCHEM_LOGP>
4.755188349333333

> <ALOGPS_LOGS>
-2.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
46.0464

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.08e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyclooctasulfur (99Tc)technetium

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09397

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Technetium Tc-99m sulfur colloid

> <SYNONYMS>
Technetium (99mTc) sulfur colloid; Technetium 99m sulfur colloid; Technetium Tc 99m sulfur colloid; Technetium Tc-99m Sulfur Colloid

> <PRODUCTS>
Kit for the Preparation of Technetium Tc 99m Sulfur Colloid; Kit for the Prepartion of Technetium Tc99m Sulfur Colloid

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