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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O7
Molecular Weight 350.3233
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDARAVONE GLUCURONIDE

SMILES

CC1=NN(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1)C3=CC=CC=C3

InChI

InChIKey=KZSVPEVBRMCCMG-JHZZJYKESA-N
InChI=1S/C16H18N2O7/c1-8-7-10(18(17-8)9-5-3-2-4-6-9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h2-7,11-14,16,19-21H,1H3,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2O7
Molecular Weight 350.3233
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 14:05:34 UTC 2019
Edited
by admin
on Tue Oct 22 14:05:34 UTC 2019
Record UNII
8H49YKB263
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDARAVONE GLUCURONIDE
Common Name English
NORANTIPYRINE GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL
Systematic Name English
MCI 186 GLUCURONIDE
Code English
3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
67566-02-3
Created by admin on Tue Oct 22 14:05:35 UTC 2019 , Edited by admin on Tue Oct 22 14:05:35 UTC 2019
PRIMARY
CAS
67566-02-3
Created by admin on Tue Oct 22 14:05:35 UTC 2019 , Edited by admin on Tue Oct 22 14:05:35 UTC 2019
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
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