Dataset

Estazolam

This MassBank record with Accession MSBNK-Waters-WA000826 contains the MS mass spectrum of Estazolam with the InChIkey CDCHDCWJMGXXRH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
SMILES Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c2)c(nn2)CN1
InChI Key CDCHDCWJMGXXRH-UHFFFAOYSA-N
Molecular Formula C16H11ClN4
Exact Mass 294.067 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000826
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:53.978058
MetadataModified 2024-01-11T22:49:54.138669
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15419098 PubChem: Thomson Pharma
PD009958 ProbesDrugs
29975-16-4 ACToR
SCHEMBL28766 SureChEMBL
PA449502 PharmGKB
36S3EQV54C FDA SRS
7550 Guide to Pharmacology
20180178 NMRShiftDB
J9.280K Nikkaji
3261 PubChem
HMDB0015346 Human Metabolome Database
estazolam DailyMed
34567 Brenda
DTXSID5020572 EPA CompTox Dashboard
1056 DrugCentral
ZINC000000001370 ZINC
CPTZAP CCDC
ESTAZOLAM rxnorm
ESTAZOLAM clinicaltrials
PROSOM clinicaltrials
ESTAZOLAM DailyMed
DB01215 DrugBank
CHEMBL285674 ChEMBL
4858 ChEBI
C06981 KEGG Ligand
538014 eMolecules
The data in this table is sourced from UniChem at EBI.