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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17ClN4O7
Molecular Weight 400.771
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

O[C@H]1[C@H](O[C@@H](CN2N=CN=N2)C3=C(Cl)C=CC=C3)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

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 400.771
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 Dec 16 15:20:02 UTC 2023
Edited
by admin
on Sat Dec 16 15:20:02 UTC 2023
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 Dec 16 15:20:02 UTC 2023 , Edited by admin on Sat Dec 16 15:20:02 UTC 2023
PRIMARY
PUBCHEM
146019672
Created by admin on Sat Dec 16 15:20:02 UTC 2023 , Edited by admin on Sat Dec 16 15:20:02 UTC 2023
PRIMARY
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