Dataset

O-Desmethylvenlafaxine

This MassBank record with Accession MSBNK-Waters-WA002814 contains the MS mass spectrum of O-Desmethylvenlafaxine with the InChIkey KYYIDSXMWOZKMP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
SMILES	CN(C)CC(c(c2)ccc(O)c2)C(O)(C1)CCCC1
InChI Key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
Molecular Formula	C16H25NO2
Exact Mass	263.189 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-WA002814
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:21.818669
MetadataModified	2024-01-11T22:49:22.029665
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1118	ChEMBL
DB06700	DrugBank
8320714	eMolecules
14872425	PubChem: Thomson Pharma
PD009285	ProbesDrugs
desvenlafaxine	Selleck
SCHEMBL34864	SureChEMBL
93413-62-8	ACToR
7158	Guide to Pharmacology
125017	PubChem
J347.736C	Nikkaji
DESVENLAFAXINE	rxnorm
PRISTIQ	clinicaltrials
DESVENLAFAXINE	clinicaltrials
DESVENLAFAXINE SUCCINATE	clinicaltrials
DVS-233	clinicaltrials
PRISTIQ	rxnorm
4380	DrugCentral
86748	BindingDB
DESVENLAFAXINE	DailyMed
KHEDEZLA	rxnorm
DESVENLAFAXINE SUCCINATE	rxnorm
NG99554ANW	FDA SRS
210371	Brenda
desvenlafaxine	DailyMed
HMDB0015646	Human Metabolome Database
DTXSID40869118	EPA CompTox Dashboard
LSM-45451	LINCS
CB8496834	ChemicalBook
MTBLC83527	Metabolights
83527	ChEBI
PA165958374	PharmGKB
The data in this table is sourced from UniChem at EBI.