Mrv1718010311719352D          

  5  0  0  0  0  0            999 V2000
   -2.3571    0.8250    0.0000 O   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
    2.3571    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892   -0.8250    0.0000 Tc  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  1   5  -1
M  ISO  1   5  98
M  END
> <DATABASE_ID>
DB09314

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.[98Tc-]

> <INCHI_IDENTIFIER>
InChI=1S/4H2O.Tc/h4*1H2;/q;;;;-1/i;;;;1+1

> <INCHI_KEY>
ZTFPRNKAHXDALS-RCUQKECRSA-N

> <FORMULA>
H8O4Tc

> <MOLECULAR_WEIGHT>
169.968

> <EXACT_MASS>
169.95002301

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
1.5082203897359623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrahydrate (98Tc)technetiumuide

> <ALOGPS_LOGP>
-1.36

> <JCHEM_LOGP>
-0.6519999999999999

> <ALOGPS_LOGS>
0.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
25.3

> <JCHEM_REFRACTIVITY>
3.7

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrate (98Tc)technetiumuide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09314

> <SECONDARY_ACCESSION_NUMBERS>
DB13043

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Technetium Tc-99m pertechnetate

> <SYNONYMS>
(99Tc)pertechnetate; CPERT; GPERT; Pertechnetate-99Tc; Technetium (99mTc) Pertechnetate; Technetium Tc 99m Pertechnetate

> <PRODUCTS>
Drytec (Technetium Tc99m Generator); RadioGenix System; Sodium Pertechnetate 99mtc Injection; TechneLite; Ultra-TechneKow DTE; Ultra-Technekow V4

> <SALTS>
Technetium Tc-99m sodium pertechnetate

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