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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12ClNO9
Molecular Weight 361.6891
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXYCHLORZOXAZONE GLUCURONIDE

SMILES

c1c(c(cc2c1nc(O)o2)O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)Cl

InChI

InChIKey=FECWRMCLWLJFHA-GOVZDWNOSA-N
InChI=1S/C13H12ClNO9/c14-3-1-4-6(23-13(21)15-4)2-5(3)22-12-9(18)7(16)8(17)10(24-12)11(19)20/h1-2,7-10,12,16-18H,(H,15,21)(H,19,20)/t7-,8-,9+,10-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H12ClNO9
Molecular Weight 361.6891
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:40:50 UTC 2021
Edited
by admin
on Sat Jun 26 13:40:50 UTC 2021
Record UNII
HCL8UQ2CG0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXYCHLORZOXAZONE GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-CHLORO-2,3-DIHYDRO-2-OXO-6-BENZOXAZOLYL
Systematic Name English
Code System Code Type Description
FDA UNII
HCL8UQ2CG0
Created by admin on Sat Jun 26 13:40:50 UTC 2021 , Edited by admin on Sat Jun 26 13:40:50 UTC 2021
PRIMARY
CAS
87620-03-9
Created by admin on Sat Jun 26 13:40:50 UTC 2021 , Edited by admin on Sat Jun 26 13:40:50 UTC 2021
PRIMARY
PUBCHEM
129522086
Created by admin on Sat Jun 26 13:40:50 UTC 2021 , Edited by admin on Sat Jun 26 13:40:50 UTC 2021
PRIMARY
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