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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13N2O8.3Na
Molecular Weight 370.1988
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSPAGLUMATE SODIUM

SMILES

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

InChI

InChIKey=WGWMBRZJCFSSLL-UEEQWHBPSA-K
InChI=1S/C11H16N2O8.3Na/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;3*+1/p-3/t6-,7-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 3 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

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
Z7Y1U20IBU
Record Status Validated (UNII)
Record Version