CHEBI:51016 - guanethidine monosulfate

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ChEBI Name guanethidine monosulfate
ChEBI ID CHEBI:51016
Definition A organic sulfate salt obtained from guanethidine and sulfuric acid in a 1:1 ratio.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C10H22N4.H2SO4
C10H24N4SO4
Net Charge 0
Average Mass 296.38812
Monoisotopic Mass 296.15183
InChI InChI=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)
InChIKey YUFWAVFNITUSHI-UHFFFAOYSA-N
SMILES [H+].[H+].[O-]S([O-])(=O)=O.NC(=N)NCCN1CCCCCCC1
Roles Classification
Application(s): antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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ChEBI Ontology
Outgoing 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 guanethidine sulfate (CHEBI:51017) has part guanethidine monosulfate (CHEBI:51016)
IUPAC Name
1-(2-azocan-1-ylethyl)guanidine sulfate
Synonyms Sources
(2-(Hexahydro-1(2H)-azocinyl)ethyl) guanidine hydrogen sulfate ChemIDplus
(2-(Hexahydro-1(2H)-azocinyl)ethyl)guanidine sulfate (1:1) ChemIDplus
2-(Octahydro-1-azocinyl)ethyl guanidine sulphate ChemIDplus
Manual Xrefs Databases
D04382 KEGG DRUG
DB01170 DrugBank
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Registry Numbers Types Sources
6255761 Reaxys Registry Number Reaxys
645-43-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1254139 PubMed citation Europe PMC
1423007 PubMed citation Europe PMC
2937764 PubMed citation Europe PMC
3224270 PubMed citation Europe PMC
7953627 PubMed citation Europe PMC
Last Modified
01 December 2011