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CHEBI:51017 - guanethidine sulfate

ChEBI IDCHEBI:51017
ChEBI Nameguanethidine sulfate
Stars
DefinitionA organic sulfate salt composed of two molecules of guanethidine and one of sulfuric acid.
Last Modified1 December 2011
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.2C10H22N4.O4S
Net Charge0
Average Mass494.707
Monoisotopic Mass494.33627
SMILESN=C(N)NCCN1CCCCCCC1.N=C(N)NCCN1CCCCCCC1.O=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=1S/2C10H22N4.H2O4S/c2*11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h2*1-9H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKeyNBJGGHFXCGHTNJ-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 sulfate (CHEBI:51017) has part guanethidine monosulfate (CHEBI:51016)
guanethidine sulfate (CHEBI:51017) has role antihypertensive agent (CHEBI:35674)
guanethidine sulfate (CHEBI:51017) is a organic sulfate salt (CHEBI:51337)
IUPAC Name 
bis(1-(2-azocan-1-ylethyl)guanidine) sulfate
Synonyms  Source
(2-(Hexahydro-1(2H)-azocinyl)ethyl)guanidine sulfate (2:1)ChemIDplus
Azocine, 1-(2-guanidinoethyl)octahydro-, sulfate (2:1)ChEBI
Guanethidine bisulfateChemIDplus
Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-, sulfate (2:1)ChemIDplus
Guanidine, (2-(octahydro-1-azocinyl)ethyl)-, hemisulfateChemIDplus
beta-1-Azacyclooctylethylguanidine sulfateChemIDplus
Manual XrefsDatabases
DB01170DrugBank
D02237KEGG DRUG
Registry NumbersSources
Reaxys:6552119Reaxys
CAS:60-02-6ChemIDplus
Citations