AMINOHIPPURATE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII SUO3KVS1O9

Structure

InChI Key UNZMYCAEMNVPHX-UHFFFAOYSA-M
Smiles Nc1ccc(C(=O)NCC(=O)[O-])cc1.[Na+]
InChI
InChI=1S/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N2NaO3
Molecular Weight 216.17
AlogP 0.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 92.42
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEBI 31204
ChEMBL CHEMBL1200365
FDA SRS SUO3KVS1O9
PubChem 443971
SureChEMBL SCHEMBL8964780
ZINC ZINC00119344
CONTENTS