Mrv0541 02241204122D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  3   1   2   2  -1   4  -1
M  END
> <DATABASE_ID>
DB11150

> <DATABASE_NAME>
drugbank

> <SMILES>
[Ba++].[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

> <INCHI_KEY>
TZCXTZWJZNENPQ-UHFFFAOYSA-L

> <FORMULA>
BaO4S

> <MOLECULAR_WEIGHT>
233.39

> <EXACT_MASS>
233.856970451

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11150

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Barium sulfate

> <SYNONYMS>
Bario sulfato; Barium sulfate

> <PRODUCTS>
Anatrast; Anatrast Pst 55%; Baricon; Baricon for Suspension; Baro Bag Enema 98%; Baro-cat; Barobag Enema Kit; Barocat Susp 1.5%; Barosperse; Barosperse Disposable Enema Units 95%; Barosperse for Susp 95%; Cheetah; E-Z-Cat Dry; E-Z-Disk; E-Z-Dose with Liquid Polibar Plus; E-Z-HD; E-Z-Paque; E-Z-Paste; E-Z-jug; E-Z-paque 95%; E-Z-paque Powder for Suspension 95%; ENTERO Vu 24%; Enhancer; Enterovu - Powder for Suspension 81%; Entrobar; Entrobar Suspension 50%; Entroease; Esobar Crm 65%; Evacu Paste 45%; Flo-coat; Flo-coat Susp 100%; Hd 200 Plus; Hd 85; Hd 85 Barium Sulfate Susp 51%; Hd200 Plus Barium Sulfate for Susp 98%; Intropaste; Intropaste - Pst Orl 44%w/w; Liqui-coat Hd; Liqui-coat Hd - Sus Orl 210%w/v 81%w/w; Liquid Barosperse; Liquid Barosperse- Sus Orl RT 60%w/v 40%w/w; Liquid Polibar Plus; Maxibar Liquid 210gm/100ml; Medebar Plus; Medebar Plus - Sus Orl RT 56%w/w 100%w/v; NeuLumEX; Polibar ACB; Polibar Rapid 57% (p/p); Prepcat; Prepcat 1.5%; Readi-Cat; Readi-Cat 2; Readi-Cat 2 Banana Smoothie; Readi-Cat 2 Berry Smoothie; Readi-Cat 2 Creamy Vanilla Smoothie; Readi-Cat 2 Mochaccino Smoothie; Readi-Cat2; Readi-Cat2 Apple Smoothie; Readi-Cat2 Banana Smoothie; Readi-Cat2 Berry Smoothie; Readi-Cat2 Mochaccino Smoothie; Readi-Cat2 Vanilla Smoothie; Scan C; Tagitol V; Tomo Cat Barium Sulfate Susp 5%; Tomocat; Tonojug; Tonopaque; Tonopaque for Suspension 95%; Vanilla SilQ; Vanilla SilQ HD; Vanilla SilQ MD; Varibar Honey; Varibar Nectar; Varibar Pudding; Varibar Thin Honey; Varibar Thin Liquid; Vizumax ENEM; Vizumax HD; VoLumen

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