Dataset

Doxapram

This MassBank record with Accession MSBNK-Waters-WA000831 contains the MS mass spectrum of Doxapram with the InChIkey XFDJYSQDBULQSI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
SMILES C(c(c4)cccc4)(c(c3)cccc3)(C(=O)1)C(CCN(C2)CCOC2)CN(CC)1
InChI Key XFDJYSQDBULQSI-UHFFFAOYSA-N
Molecular Formula C24H30N2O2
Exact Mass 378.231 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-WA000831
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:38.994839
MetadataModified 2024-01-11T22:50:39.172763
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL644504 SureChEMBL
MCULE-9853713128 Mcule
J5.501H Nikkaji
7169 Guide to Pharmacology
3156 PubChem
PD009963 ProbesDrugs
15078242 PubChem: Thomson Pharma
309-29-5 ACToR
PA164784026 PharmGKB
LSM-5058 LINCS
50505297 BindingDB
94F3830Q73 FDA SRS
HY-B0551 MedChemExpress
DOXAPRAM HYDROCHLORIDE clinicaltrials
DOCATONE clinicaltrials
DOXAPRAM DailyMed
DOXAPRAM rxnorm
DOXAPRAM HYDROCHLORIDE rxnorm
DOPRAM rxnorm
DOXAPRAM clinicaltrials
DOPRAM clinicaltrials
DTXSID2022963 EPA CompTox Dashboard
STIMULEXIN clinicaltrials
953 DrugCentral
doxapram DailyMed
CB4245654 ChemicalBook
HMDB0014701 Human Metabolome Database
DB00561 DrugBank
CHEMBL1754 ChEMBL
681848 ChEBI
901795 eMolecules
The data in this table is sourced from UniChem at EBI.