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CHEBI:145334 - 1-hydroxymidazolam β-D-glucuronide

ChEBI IDCHEBI:145334
ChEBI Name1-hydroxymidazolam β-D-glucuronide
Stars
ASCII Name1-hydroxymidazolam beta-D-glucuronide
DefinitionA β-D-glucosiduronic acid that is β-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group. It is the glucuronidated conjugate of the midazolam metabolite, 1-hydroxymidazolam.
Last Modified11 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC24H21ClFN3O7
Net Charge0
Average Mass517.897
Monoisotopic Mass517.10521
SMILESO=C(O)[C@H]1O[C@@H](OCc2ncc3n2-c2ccc(Cl)cc2C(c2ccccc2F)=NC3)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H21ClFN3O7/c25-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)26)28-9-12-8-27-17(29(12)16)10-35-24-21(32)19(30)20(31)22(36-24)23(33)34/h1-8,19-22,24,30-32H,9-10H2,(H,33,34)/t19-,20-,21+,22-,24+/m0/s1
InChIKeyICIUMXQTLQXWGL-QMDPOKHVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (10519446)
blood serum (BTO:0000133) PubMed (14513773)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum 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)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) has functional parent 1-hydroxymidazolam (CHEBI:145330)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) has role drug metabolite (CHEBI:49103)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) has role human blood serum metabolite (CHEBI:85234)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) has role human urinary metabolite (CHEBI:84087)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) is a imidazobenzodiazepine (CHEBI:142118)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) is a monofluorobenzenes (CHEBI:83575)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) is a monosaccharide derivative (CHEBI:63367)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) is a organochlorine compound (CHEBI:36683)
1-hydroxymidazolam β-D-glucuronide (CHEBI:145334) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methyl β-D-glucopyranosiduronic acid
Synonyms  Source
1'-hydroxymidazolam-glucuronideChEBI
1-hydroxymethylmidazolam glucuronideChemIDplus
1'-OH MDZ glucuronideChEBI
MDZ-glucuronideChemIDplus
1-hydroxymidazolam glucuronideChEBI
1'-hydroxymidazolam β-D-glucuronideChEBI
Registry NumbersSources
CAS:81256-81-7ChemIDplus
Citations