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Details

Stereochemistry EPIMERIC
Molecular Formula C22H19ClN4O7
Molecular Weight 486.862
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYESTAZOLAM GLUCURONIDE

SMILES

[H][C@@]5(OC1N=C(C2=CC=CC=C2)C3=CC(Cl)=CC=C3N4C=NN=C14)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=AIXPATJILANSBT-FSERQMRGSA-N
InChI=1S/C22H19ClN4O7/c23-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)25-20(19-26-24-9-27(13)19)34-22-17(30)15(28)16(29)18(33-22)21(31)32/h1-9,15-18,20,22,28-30H,(H,31,32)/t15-,16-,17+,18-,20?,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H19ClN4O7
Molecular Weight 486.862
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:25:27 UTC 2023
Edited
by admin
on Thu Jul 06 19:25:27 UTC 2023
Record UNII
MKU3PJF3WP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYESTAZOLAM GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 8-CHLORO-6-(2-CHLOROPHENYL)-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-4-YL
Systematic Name English
CONJUGATED 4-HYDROXYESTAZOLAM
Common Name English
Code System Code Type Description
FDA UNII
MKU3PJF3WP
Created by admin on Thu Jul 06 19:25:27 UTC 2023 , Edited by admin on Thu Jul 06 19:25:27 UTC 2023
PRIMARY
PUBCHEM
165411931
Created by admin on Thu Jul 06 19:25:27 UTC 2023 , Edited by admin on Thu Jul 06 19:25:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Minor Metabolite