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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18ClN5O8
Molecular Weight 443.7964
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6R)-6-(((1R)-1-(2-CHLOROPHENYL)-2-(TETRAZOL-2-YL)ETHOXY)CARBONYLAMINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

c1ccc(c(c1)[C@]([H])(Cn2ncnn2)OC(=N[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)O)Cl

InChI

InChIKey=SUPVNWDRGIIEFB-ARFNZGECSA-N
InChI=1S/C16H18ClN5O8/c17-8-4-2-1-3-7(8)9(5-22-19-6-18-21-22)29-16(28)20-14-12(25)10(23)11(24)13(30-14)15(26)27/h1-4,6,9-14,23-25H,5H2,(H,20,28)(H,26,27)/t9-,10-,11-,12+,13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18ClN5O8
Molecular Weight 443.7964
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:01:41 UTC 2021
Edited
by admin
on Sat Jun 26 03:01:41 UTC 2021
Record UNII
O2LEK8QD1L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6R)-6-(((1R)-1-(2-CHLOROPHENYL)-2-(TETRAZOL-2-YL)ETHOXY)CARBONYLAMINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
N-GLUCURONIDE OF CENOBAMATE
Common Name English
CENOBAMATE METABOLITE M1
Common Name English
Code System Code Type Description
PUBCHEM
146019392
Created by admin on Sat Jun 26 03:01:41 UTC 2021 , Edited by admin on Sat Jun 26 03:01:41 UTC 2021
PRIMARY
FDA UNII
O2LEK8QD1L
Created by admin on Sat Jun 26 03:01:41 UTC 2021 , Edited by admin on Sat Jun 26 03:01:41 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
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