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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17ClN4O7
Molecular Weight 400.7716
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)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

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

InChI

InChIKey=RBPOVMMAONRLJK-QBOXMOKDSA-N
InChI=1S/C15H17ClN4O7/c16-8-4-2-1-3-7(8)9(5-20-18-6-17-19-20)26-15-12(23)10(21)11(22)13(27-15)14(24)25/h1-4,6,9-13,15,21-23H,5H2,(H,24,25)/t9-,10-,11-,12+,13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H17ClN4O7
Molecular Weight 400.7716
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 04:24:24 UTC 2021
Edited
by admin
on Sat Jun 26 04:24:24 UTC 2021
Record UNII
N2AFP612U6
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)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
CENOBAMATE METABOLITE M3
Common Name English
Code System Code Type Description
FDA UNII
N2AFP612U6
Created by admin on Sat Jun 26 04:24:24 UTC 2021 , Edited by admin on Sat Jun 26 04:24:24 UTC 2021
PRIMARY
PUBCHEM
146019672
Created by admin on Sat Jun 26 04:24:24 UTC 2021 , Edited by admin on Sat Jun 26 04:24:24 UTC 2021
PRIMARY
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