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CHEBI:51016 - guanethidine monosulfate

ChEBI IDCHEBI:51016
ChEBI Nameguanethidine monosulfate
Stars
DefinitionA organic sulfate salt obtained from guanethidine and sulfuric acid in a 1:1 ratio.
Last Modified1 December 2011
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.C10H22N4.O4S
Net Charge0
Average Mass296.393
Monoisotopic Mass296.15183
SMILESN=C(N)NCCN1CCCCCCC1.O=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=1S/C10H22N4.H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h1-9H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKeyYUFWAVFNITUSHI-UHFFFAOYSA-N
Roles Classification
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
guanethidine monosulfate (CHEBI:51016) has part guanethidine (CHEBI:5557)
guanethidine monosulfate (CHEBI:51016) has role antihypertensive agent (CHEBI:35674)
guanethidine monosulfate (CHEBI:51016) is a organic sulfate salt (CHEBI:51337)
Incoming Relation(s)
guanethidine sulfate (CHEBI:51017) has part guanethidine monosulfate (CHEBI:51016)
IUPAC Name 
1-(2-azocan-1-ylethyl)guanidine sulfate
Synonyms  Source
(2-(Hexahydro-1(2H)-azocinyl)ethyl) guanidine hydrogen sulfateChemIDplus
(2-(Hexahydro-1(2H)-azocinyl)ethyl)guanidine sulfate (1:1)ChemIDplus
2-(Octahydro-1-azocinyl)ethyl guanidine sulphateChemIDplus
Manual XrefsDatabases
D04382KEGG DRUG
DB01170DrugBank
Registry NumbersSources
Reaxys:6255761Reaxys
CAS:645-43-2ChemIDplus
Citations