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1-hydroxymidazolam beta-D-glucuronide

Go to external page http://purl.obolibrary.org/obo/CHEBI_145334

A beta-D-glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group.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

Term info

Label

1-hydroxymidazolam beta-D-glucuronide

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

3_STAR

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

charge

0

formula

C24H21ClFN3O7

has obo namespace

chebi_ontology

has related synonym

1'-hydroxymidazolam-glucuronide, 1-hydroxymethylmidazolam glucuronide, 1'-hydroxymidazolam beta-D-glucuronide, 1-hydroxymidazolam glucuronide, 1'-OH MDZ glucuronide, MDZ-glucuronide

id

CHEBI:145334

inchi

InChI=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

inchikey

ICIUMXQTLQXWGL-QMDPOKHVSA-N

mass

517.890

monoisotopicmass

517.10521

smiles

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