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Gastrodenol

CAT: 0931-T3605-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T3605-03Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57644-54-9
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Purity
0.9997
Bioactivity
Gastrodenol (Bismuth tripotassium dicitrate) is a bismuth compound used for peptic ulcer and gastro-oesophageal reflux disease.
Smiles
[K+].[K+].[K+].[Bi+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Molecular Formula
C12H10BiK3O14
Molecular Weight
704.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bismuth Subcitrate

Bismuth Subcitrate is a mineral compound that is used to treat duodenal and gastric ulcers associated with Helicobacter pylori.

CAS Number57644-54-9
PubChem CID10101269
IUPAC Namebismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate)
Molecular FormulaC12H10BiK3O14
Molecular Weight704.47
Topological Polar Surface Area281
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity211
SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+].[Bi+3]
InChI
InChI=1S/2C6H8O7.Bi.3K/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;+3;3*+1/p-6
InChIKey
ZQUAVILLCXTKTF-UHFFFAOYSA-H
Chemical Structure
2D Structure
2D structure of Bismuth Subcitrate
CAS: 57644-54-9
CID: 10101269
Formula: C12H10BiK3O14
MW: 704.47
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight704.47
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass703.87857
Monoisotopic Mass703.87857
Topological Polar Surface Area281 Ų
Heavy Atom Count30
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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