Mrv1909 03062022402D          

  3  0  0  0  0  0            999 V2000
   -0.9219   -0.0312    0.0000 Ra  0  2  0  0  0  0  0  0  0  0  0  0
    0.6985    0.7008    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.7209   -0.7053    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  ISO  1   1 223
M  END
> <DATABASE_ID>
DB08913

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].[Cl-].[223Ra++]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Ra/h2*1H;/q;;+2/p-2/i;;1-3

> <INCHI_KEY>
RWRDJVNMSZYMDV-SIUYXFDKSA-L

> <FORMULA>
Cl2Ra

> <MOLECULAR_WEIGHT>
293.924

> <EXACT_MASS>
292.956202554

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(223Ra)radium(2+) dichloride

> <ALOGPS_LOGP>
0.37

> <JCHEM_LOGP>
0.0

> <ALOGPS_LOGS>
-0.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.47e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(223Ra)radium(2+) dichloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB08913

> <SECONDARY_ACCESSION_NUMBERS>
DB05677; DB09566

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Radium Ra 223 dichloride

> <SYNONYMS>
Radium chloride Ra-223; Radium Ra 223 dichloride; Radium Ra-223 dichloride; Radium-223 chloride; Radium-223 dichloride

> <PRODUCTS>
Radium Ra 223 Dichloride; Xofigo

> <INTERNATIONAL_BRANDS>
Alpharadin

$$$$