Dataset

Sildenafil

This MassBank record with Accession MSBNK-Waters-WA002488 contains the MS mass spectrum of Sildenafil with the InChIkey BNRNXUUZRGQAQC-UHFFFAOYSA-N.

InChI	InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
SMILES	CCOc(c4)c(cc(c4)S(=O)(=O)N(C3)CCN(C)C3)C(N1)=Nc(c(CCC)2)c(n(C)n2)C(=O)1
InChI Key	BNRNXUUZRGQAQC-UHFFFAOYSA-N
Molecular Formula	C22H30N6O4S
Exact Mass	474.205 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002488
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:23.716422
MetadataModified	2024-01-11T22:48:23.898576
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL192	ChEMBL
C07259	KEGG Ligand
VIA	PDBe
902463	eMolecules
615	Brenda
117589	Brenda
DB00203	DrugBank
CB82675677	ChemicalBook
135398744	PubChem
sildenafil	DailyMed
CB2747316	ChemicalBook
HMDB0005039	Human Metabolome Database
ZINC000019796168	ZINC
VIAGRA	rxnorm
VIZARSIN	clinicaltrials
VIAGRA	clinicaltrials
UK-92,480-10	clinicaltrials
UK-92480-10	clinicaltrials
SILDENAFIL	clinicaltrials
SILDENAFIL CITRATE	clinicaltrials
REVATIO	clinicaltrials
HIP-0908	clinicaltrials
HIP0908	clinicaltrials
HY-15025	MedChemExpress
DTXSID6023579	EPA CompTox Dashboard
2441	DrugCentral
14390	BindingDB
SILDENAFIL	DailyMed
SILDENAFIL CITRATE	rxnorm
REVATIO	rxnorm
SILDENAFIL	rxnorm
PATREX	clinicaltrials
14883184	PubChem: Thomson Pharma
PD003443	ProbesDrugs
3M7OB98Y7H	FDA SRS
14834479	PubChem: Thomson Pharma
139755-83-2	ACToR
SCHEMBL1895	SureChEMBL
PA451346	PharmGKB
LSM-3797	LINCS
9139	ChEBI
MCULE-2481702478	Mcule
QEGTUT	CCDC
J897.167F	Nikkaji
50238854	BindingDB
4743	Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.