Mrv1572010271516192D          

 14  9  0  0  0  0            999 V2000
   -0.5500   -1.4290    0.0000 La  0  1  0  0  0  0  0  0  0  0  0  0
   -0.5500    1.4290    0.0000 La  0  1  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3394   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3394    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.5081    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.0791    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1001    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5770    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8251   -3.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  CHG  8   1   3   2   3   3  -1   4  -1   5  -1   6  -1   7  -1   8  -1
M  END
> <DATABASE_ID>
DB06792

> <DATABASE_NAME>
drugbank

> <SMILES>
[La+3].[La+3].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6

> <INCHI_KEY>
NZPIUJUFIFZSPW-UHFFFAOYSA-H

> <FORMULA>
C3La2O9

> <MOLECULAR_WEIGHT>
457.835

> <EXACT_MASS>
457.76695

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
3.515525686064488

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dilanthanum(3+) ion tricarbonate

> <ALOGPS_LOGP>
0.65

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
-1.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618219

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dilanthanum(3+) ion tricarbonate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB06792

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Lanthanum carbonate

> <SYNONYMS>
Lanthanum (III) carbonate; Lanthanum carbonate anhydrous; Lanthanum sesquicarbonate; Lanthanum(3+) carbonate

> <PRODUCTS>
Fosrenol; Lanthanum Carbonate; Lanthanum carbonate; Nat-lanthanum

> <INTERNATIONAL_BRANDS>
Foznol; Phosbloc

> <SALTS>
Lanthanum carbonate hydrate

$$$$