U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16N2O8
Molecular Weight 304.2533
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSPAGLUMIC ACID

SMILES

CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=OPVPGKGADVGKTG-BQBZGAKWSA-N
InChI=1S/C11H16N2O8/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)/t6-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H16N2O8
Molecular Weight 304.2533
Charge 0
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
1W8M12WXYL
Record Status Validated (UNII)
Record Version