PTD
PENTANEDIAL
| Created: | 2000-07-12 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 14 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | PENTANEDIAL |
| Systematic Name (OpenEye OEToolkits) | pentanedial |
| Formula | C5 H8 O2 |
| Molecular Weight | 100.116 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CCCCC=O |
| SMILES | CACTVS | 3.341 | O=CCCCC=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC=O)CC=O |
| Canonical SMILES | CACTVS | 3.341 | O=CCCCC=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(CC=O)CC=O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2 |
| InChIKey | InChI | 1.03 | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB03266 |
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| Name | Glutaral |
| Groups | experimental |
| Description | One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative. |
| Synonyms |
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| Categories |
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| CAS number | 111-30-8 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 3485 |
| ChEMBL | CHEMBL1235482 |
| ChEBI | CHEBI:64276 |
