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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17NO9
Molecular Weight 331.2754
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((2-(HYDROXYMETHYL)-1-METHYL-4-OXO-3-PYRIDYL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CN1C=CC(=O)C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1CO

InChI

InChIKey=MWXWIBLAMHBBKJ-JDQAZDLZSA-N
InChI=1S/C13H17NO9/c1-14-3-2-6(16)10(5(14)4-15)22-13-9(19)7(17)8(18)11(23-13)12(20)21/h2-3,7-9,11,13,15,17-19H,4H2,1H3,(H,20,21)/t7-,8-,9+,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H17NO9
Molecular Weight 331.2754
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 Dec 16 14:48:41 GMT 2023
Edited
by admin
on Sat Dec 16 14:48:41 GMT 2023
Record UNII
47N4BZV3Z9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((2-(HYDROXYMETHYL)-1-METHYL-4-OXO-3-PYRIDYL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
DEFERIPRONE METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
101623833
Created by admin on Sat Dec 16 14:48:41 GMT 2023 , Edited by admin on Sat Dec 16 14:48:41 GMT 2023
PRIMARY
FDA UNII
47N4BZV3Z9
Created by admin on Sat Dec 16 14:48:41 GMT 2023 , Edited by admin on Sat Dec 16 14:48:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE