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CHEBI:145335 - 4-hydroxymidazolam β-D-glucuronide
| Formula | C24H21ClFN3O7 |
| Net Charge | 0 |
| Average Mass | 517.897 |
| Monoisotopic Mass | 517.10521 |
| SMILES | Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C24H21ClFN3O7/c1-10-27-9-16-22(36-24-20(32)18(30)19(31)21(35-24)23(33)34)28-17(12-4-2-3-5-14(12)26)13-8-11(25)6-7-15(13)29(10)16/h2-9,18-22,24,30-32H,1H3,(H,33,34)/t18-,19-,20+,21-,22?,24-/m0/s1 |
| InChIKey | MPHAZAPYEZYBRV-UOPHVPOOSA-N |
| Roles Classification |
|---|
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| Application: | GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) has functional parent 4-hydroxymidazolam (CHEBI:145331) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) has role drug metabolite (CHEBI:49103) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) has role human urinary metabolite (CHEBI:84087) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) is a imidazobenzodiazepine (CHEBI:142118) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) is a monofluorobenzenes (CHEBI:83575) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) is a monosaccharide derivative (CHEBI:63367) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) is a organochlorine compound (CHEBI:36683) |
| 4-hydroxymidazolam β-D-glucuronide (CHEBI:145335) is a β-D-glucosiduronic acid (CHEBI:15341) |
| IUPAC Name |
|---|
| 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 4-OH MDZ glucuronide | ChEBI |
| 4-hydroxymidazolam-glucuronide | ChEBI |
| 4-hydroxymidazolam glucuronide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:81256-82-8 | ChEBI |
| Citations |
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