Dataset

Repaglinide

This MassBank record with Accession MSBNK-Athens_Univ-AU218951 contains the MS2 mass spectrum of Repaglinide with the InChIkey FAEKWTJYAYMJKF-QHCPKHFHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
SMILES CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3
InChI Key FAEKWTJYAYMJKF-QHCPKHFHSA-N
Molecular Formula C27H36N2O4
Exact Mass 452.268 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU218951
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:53.854561
MetadataModified 2025-02-08T19:04:15.142297
MetadataPublished 2016-02-25
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
65981 PubChem
14833410 PubChem: Thomson Pharma
14808699 PubChem: Thomson Pharma
Repaglinide Selleck
PA451234 PharmGKB
135062-02-1 ACToR
SCHEMBL16137 SureChEMBL
LSM-3863 LINCS
668Z8C33LU FDA SRS
AGEE-623ZW clinicaltrials
PD000219 ProbesDrugs
70020499 NMRShiftDB
6718905 eMolecules
ZINC000003798537 ZINC
repaglinide DailyMed
CB4140539 ChemicalBook
HMDB0015048 Human Metabolome Database
145985 Brenda
145071 Brenda
MCULE-3611790330 Mcule
DB00912 DrugBank
C07670 KEGG Ligand
CHEMBL1272 ChEMBL
SAM001246546 NIH Clinical Collection
12014667 PubChem: Drugs of the Future
BJX PDBe
REPAGLINIDE DailyMed
50153520 BindingDB
PRANDIN rxnorm
AG-EE-623-ZW clinicaltrials
PRANDIN clinicaltrials
AG-EE 623 ZW clinicaltrials
AG-EE-623ZW clinicaltrials
REPAGLINIDE clinicaltrials
HY-15209 MedChemExpress
8805 ChEBI
DTXSID3023552 EPA CompTox Dashboard
2366 DrugCentral
6841 Guide to Pharmacology
J555.407A Nikkaji
JOHKUM CCDC
REPAGLINIDE rxnorm
The data in this table is sourced from UniChem at EBI.