MBN
TOLUENE
| Created: | 1999-07-08 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 15 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | TOLUENE |
| Systematic Name (OpenEye OEToolkits) | methylbenzene |
| Formula | C7 H8 |
| Molecular Weight | 92.138 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | c1ccccc1C |
| SMILES | CACTVS | 3.341 | Cc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1 |
| Canonical SMILES | CACTVS | 3.341 | Cc1ccccc1 |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | YXFVVABEGXRONW-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB11558 |
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| Name | Toluene |
| Groups | vet_approved |
| Description | Toluene is a colorless, liquid that is immiscible in water. It is a mono-substituted benzene derivative used in veterinary medicine as a treatment for various parasites in dogs and cats. |
| Synonyms | Toluene |
| Indication | Used for the removal of ascarids (Toxocara canis and Toxascaris leonina) and hookworms (Ancylostoma caninum and Uncinaria stenocephala) and as an aid in removing tapeworms (Taenia pisiformis, Dipylidium caninum, and Echinococcus granulosus) from dogs and cats. |
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| CAS number | 108-88-3 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL9113 |
| PubChem | 1140 |
| ChEMBL | CHEMBL9113 |
| ChEBI | CHEBI:17578 |
