13X
benzene-1,3,5-triol
| Created: | 2012-10-05 |
| Last modified: | 2020-06-05 |
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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 | benzene-1,3,5-triol |
| Synonyms | Phloroglucinol |
| Systematic Name (OpenEye OEToolkits) | benzene-1,3,5-triol |
| Formula | C6 H6 O3 |
| Molecular Weight | 126.11 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1cc(O)cc(O)c1 |
| SMILES | CACTVS | 3.370 | Oc1cc(O)cc(O)c1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1O)O)O |
| Canonical SMILES | CACTVS | 3.370 | Oc1cc(O)cc(O)c1 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H |
| InChIKey | InChI | 1.03 | QCDYQQDYXPDABM-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB12944 |
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| Name | Phloroglucinol |
| Groups | investigational |
| Description | Phloroglucinol has been used in trials studying the diagnostic of Colonoscopy. |
| Synonyms |
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| Categories |
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| ATC-Code | A03AX12 |
| CAS number | 108-73-6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 359 |
| ChEMBL | CHEMBL473159 |
| ChEBI | CHEBI:16204 |
| CCDC/CSD | PHGLOL01, GEKSOG, ROPHOV, HIBHEF, PUVMIC, ROPKAK, EDAZER, LOWFOU, ROPKEO, EBIMOS, EJIYEB, MORVEV01, ROPHUB, ROPHIP, EJIYAX, MORVEV, POLMAG, POLMEK, MORVOF, RAWDIC01, MEHROJ, OHAPUK, PUPGOX, KOLSIO, GUMJOQ, HOPKAZ, MORVEV02, HODLES, OMELEZ, KIHZEH, APAMIO, OMELID, OMELAV, ROPJIR, RAWDIC, APAMEK, KOLSOU, HIMGAL, MORVIZ, PHGLOL, OKIXUD, MORVUL, HIMGEP, QUSXEI, MARCOZ, OMEKUO |
| COD | 2219495, 2107495 |
