| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:49:23 UTC |
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| Update Date | 2016-11-09 01:15:55 UTC |
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| Accession Number | CHEM019106 |
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| Identification |
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| Common Name | Bismuth subgallate |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Basic bismuth 3,4,5-trihydroxybenzoate | ChEBI | | Basisches wismutgallat | ChEBI | | Dermatol | ChEBI | | Gallic acid bismuth basic salt | ChEBI | | Wismutgallathydroxid | ChEBI | | Basic bismuth 3,4,5-trihydroxybenzoic acid | Generator | | Gallate bismuth basic salt | Generator | | Bismuth subgallic acid | Generator | | Bismuth;5-carboxy-3-hydroxybenzene-1,2-diolic acid;hydroxide | Generator | | Bismuth subgallate hydrate | MeSH | | Bismuth subgallate | MeSH | | Dermatol ointment | MeSH |
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| Chemical Formula | C7H5BiO6 |
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| Average Molecular Mass | 394.091 g/mol |
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| Monoisotopic Mass | 393.989 g/mol |
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| CAS Registry Number | 99-26-3 |
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| IUPAC Name | bismuth(3+) ion 5-carboxy-3-hydroxybenzene-1,2-bis(olate) hydroxide |
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| Traditional Name | bismuth(3+) ion 5-carboxy-3-hydroxybenzene-1,2-bis(olate) hydroxide |
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| SMILES | O.[Bi+3].OC(=O)C1=CC([O-])=C([O-])C([O-])=C1 |
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| InChI Identifier | InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3 |
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| InChI Key | JAONZGLTYYUPCT-UHFFFAOYSA-K |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as gallic acid and derivatives. Gallic acid and derivatives are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Gallic acid and derivatives |
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| Alternative Parents | |
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| Substituents | - Gallic acid or derivatives
- Benzoic acid
- Benzoyl
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenoxide
- Phenol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic hydroxide
- Organooxygen compound
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000900000-e7da280b0569b5a6042e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0000900000-e7da280b0569b5a6042e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-0000900000-e7da280b0569b5a6042e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0009000000-906605e76482485a4577 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0009000000-906605e76482485a4577 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-0009000000-906605e76482485a4577 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB13909 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Bismuth subgallate |
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| Chemspider ID | Not Available |
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| ChEBI ID | 31292 |
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| PubChem Compound ID | 73415769 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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