Dataset

Nalidixic acid, 389-08-2.1d

Nalidixic acid, 389-08-2

Chemical Info

molecular Image
InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
SMILES CCN1C=C(C(=O)O)C(=O)C2=C1N=C(C)C=C2
InChI Key MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Molecular Formula C12H12N2O3
Exact Mass 232.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p12.s74.d433
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D433
Version
Author Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language english
MetadataCreated 2024-04-22T16:47:21.031135
MetadataModified 2024-09-23T09:35:45.857252
MetadataPublished 2022-11-09 09:57:24
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['13C']

NMR spectrum by dimensionality : 1

NMR probe : 5 mm PABBO BB-1H/19F/D Z-GRD Z129133/0001

Temperature : 298.2487 K

magnetic field strength : 16.441106362506158 Tesla

number of scans : 64 scans

nuclear magnetic resonance pulse sequence : zgpg30

Spectral Width : 304.239683000041

number of data points : 34 points

relaxation time measurement : 2.2 seconds

Data-Source Molecule ID Data-Source
MCULE-6808033849 Mcule
J2.039G Nikkaji
SCHEMBL21736 SureChEMBL
20123603 NMRShiftDB
NALIDX CCDC
4421 PubChem
PD001597 ProbesDrugs
3B91HWA56M FDA SRS
LSM-5590 LINCS
14773844 PubChem: Thomson Pharma
PA164746384 PharmGKB
Nalidixic-acid(NegGram) Selleck
389-08-2 ACToR
114048 Brenda
2148 Brenda
HMDB0014917 Human Metabolome Database
CB1194283 ChemicalBook
21691 BindingDB
NALIDIXATE rxnorm
NALIDIXIC ACID rxnorm
NALIDIXATE SODIUM clinicaltrials
ZINC000000057421 ZINC
NEGGRAM clinicaltrials
HY-B0398 MedChemExpress
DTXSID3020912 EPA CompTox Dashboard
1875 DrugCentral
NALIDIXIC ACID clinicaltrials
DB00779 DrugBank
C05079 KEGG Ligand
CHEMBL5 ChEMBL
SAM002554914 NIH Clinical Collection
100147 ChEBI
NIX PDBe
529362 eMolecules
The data in this table is sourced from UniChem at EBI.