AMINOHIPPURATE SODIUM


Trade Names	AMINOHIPPURATE SODIUM
Synonyms	.rho.-aminohippuric acid sodium salt Aminohippurate sodium Monosodium p-aminohippurate P-aminohippurate P-aminohippurate sodium Para-aminohippurate sodium [injection] Sodium p-aminohippurate
Status
Molecule Category	Salt-form
UNII	SUO3KVS1O9


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).