Dataset

Perindoprilat (diacid form)

This MassBank record with Accession MSBNK-Waters-WA002383 contains the MS mass spectrum of Perindoprilat (diacid form) with the InChIkey ODAIHABQVKJNIY-PEDHHIEDSA-N.

Chemical Info

InChI	InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
SMILES	CCCC(C(O)=O)NC(C)C(=O)N(C(C(O)=O)1)C([H])(C2)C([H])(CCC2)C1
InChI Key	ODAIHABQVKJNIY-PEDHHIEDSA-N
Molecular Formula	C17H28N2O5
Exact Mass	340.200 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002383
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:41:48.825713
MetadataModified	2025-02-09T20:21:46.479931
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
6373	Guide to Pharmacology
PERINDOPRILAT	clinicaltrials
J33.388C	Nikkaji
PERINDOPRILAT	rxnorm
PERINDOPRILAT	DailyMed
S-9780	clinicaltrials
132041	ChEBI
BECWIR	CCDC
DB14213	DrugBank
CB0240343	ChemicalBook
CHEMBL1201368	ChEMBL
X94	PDBe
95153-31-4	ACToR
2UV6ZNQ92K	FDA SRS
PD001184	ProbesDrugs
14802367	PubChem: Thomson Pharma
36754394	eMolecules
13500	Brenda
MTBLC132041	Metabolights
HMDB0060574	Human Metabolome Database
DTXSID90869249	EPA CompTox Dashboard
ZINC000004217270	ZINC
SCHEMBL564053	SureChEMBL
72022	PubChem
The data in this table is sourced from UniChem at EBI.