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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13N2O8.Mg.H
Molecular Weight 326.5425
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM MONOISOSPAGLUMATE

SMILES

[H+].[Mg++].CC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O

InChI

InChIKey=BQAXDBLSAIPBND-LEUCUCNGSA-L
InChI=1S/C11H16N2O8.Mg/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16;/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21);/q;+2/p-2/t6-,7-;/m0./s1

HIDE SMILES / InChI

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H13N2O8
Molecular Weight 301.2295
Charge -3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

ISOSPAGLUMIC ACID is used as an antiallergic agent.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
8.5 µM [Ki]

PubMed

Patents

Substance Class Chemical
Record UNII
08Y675ZOIT
Record Status Validated (UNII)
Record Version