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Details

Stereochemistry EPIMERIC
Molecular Formula C17H20N2O8S
Molecular Weight 412.4161
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZILEUTON N-GLUCURONIDE

SMILES

CC([H])(c1cc2ccccc2s1)N(C(=N)O)O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O

InChI

InChIKey=CYYKQHWQVGZJRJ-UPZRFPAJSA-N
InChI=1S/C17H20N2O8S/c1-7(10-6-8-4-2-3-5-9(8)28-10)19(17(18)25)27-16-13(22)11(20)12(21)14(26-16)15(23)24/h2-7,11-14,16,20-22H,1H3,(H2,18,25)(H,23,24)/t7?,11-,12-,13+,14-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H20N2O8S
Molecular Weight 412.4161
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 14:35:04 UTC 2021
Edited
by admin
on Sat Jun 26 14:35:04 UTC 2021
Record UNII
LDE6PT2VKH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZILEUTON N-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-O-((AMINOCARBONYL)(1-BENZO(B)THIEN-2-YLETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
141056-63-5
Created by admin on Sat Jun 26 14:35:04 UTC 2021 , Edited by admin on Sat Jun 26 14:35:04 UTC 2021
PRIMARY
PUBCHEM
71752997
Created by admin on Sat Jun 26 14:35:04 UTC 2021 , Edited by admin on Sat Jun 26 14:35:04 UTC 2021
PRIMARY
FDA UNII
LDE6PT2VKH
Created by admin on Sat Jun 26 14:35:04 UTC 2021 , Edited by admin on Sat Jun 26 14:35:04 UTC 2021
PRIMARY
Related Record Type Details
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