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4-hydroxymidazolam beta-D-glucuronide

Go to external page http://purl.obolibrary.org/obo/CHEBI_145335

A beta-D-glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group.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, 4-hydroxymidazolam.

Term info

Label

4-hydroxymidazolam beta-D-glucuronide

Synonyms
  • 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl beta-D-glucopyranosiduronic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl beta-D-glucopyranosiduronic acid [ IUPAC ]

charge

0

formula

C24H21ClFN3O7

has obo namespace

chebi_ontology

has related synonym

4-OH MDZ glucuronide, 4-hydroxymidazolam-glucuronide, 4-hydroxymidazolam glucuronide

id

CHEBI:145335

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

mass

517.890

monoisotopicmass

517.10521

smiles

C1(=NC(C=2N(C=3C1=CC(=CC3)Cl)C(=NC2)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)C=5C=CC=CC5F