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Details

Stereochemistry UNKNOWN
Molecular Formula C21H18ClFN2O8
Molecular Weight 480.8284
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE

SMILES

c1ccc(c(c1)C2=NC([H])(C(=Nc3ccc(cc32)Cl)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)F

InChI

InChIKey=XMIUOBOPNGKMER-IFBJMGMISA-N
InChI=1S/C21H18ClFN2O8/c22-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)23)25-19(18(29)24-12)33-21-16(28)14(26)15(27)17(32-21)20(30)31/h1-7,14-17,19,21,26-28H,(H,24,29)(H,30,31)/t14-,15-,16+,17-,19?,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H18ClFN2O8
Molecular Weight 480.8284
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 Sat Jun 26 00:05:21 UTC 2021
Edited
by admin
on Sat Jun 26 00:05:21 UTC 2021
Record UNII
TQV45T629X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 7-CHLORO-5-(2-FLUOROPHENYL)-2,3-DIHYDRO-2-OXO-1H-1,4-BENZODIAZEPIN-3-YL
Systematic Name English
Code System Code Type Description
FDA UNII
TQV45T629X
Created by admin on Sat Jun 26 00:05:21 UTC 2021 , Edited by admin on Sat Jun 26 00:05:21 UTC 2021
PRIMARY
CAS
81944-07-2
Created by admin on Sat Jun 26 00:05:21 UTC 2021 , Edited by admin on Sat Jun 26 00:05:21 UTC 2021
PRIMARY
PUBCHEM
91810540
Created by admin on Sat Jun 26 00:05:21 UTC 2021 , Edited by admin on Sat Jun 26 00:05:21 UTC 2021
PRIMARY
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