Guanethidine monosulfateProduct ingredient for Guanethidine

Name
Guanethidine monosulfate
Drug Entry
Guanethidine

An antihypertensive agent that acts by inhibiting selectively transmission in post-ganglionic adrenergic nerves. It is believed to act mainly by preventing the release of norepinephrine at nerve endings and causes depletion of norepinephrine in peripheral sympathetic nerve terminals as well as in tissues. [PubChem]

Accession Number
DBSALT001071
Structure
Synonyms
(2-(Hexahydro-1(2H)-azocinyl)ethyl) guanidine hydrogen sulfate / (2-(Hexahydro-1(2H)-azocinyl)ethyl)guanidine sulfate (1:1) / 2-(Octahydro-1-azocinyl)ethyl guanidine sulphate
UNII
5UBY8Y002G
CAS Number
645-43-2
Weight
Average: 296.39
Monoisotopic: 296.151826443
Chemical Formula
C10H24N4O4S
InChI Key
YUFWAVFNITUSHI-UHFFFAOYSA-N
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)
IUPAC Name
dihydrogen N-[2-(azocan-1-yl)ethyl]guanidine sulfate
SMILES
[H+].[H+].[O-]S([O-])(=O)=O.NC(=N)NCCN1CCCCCCC1
KEGG Drug
D04382
ChemSpider
77986
ChEBI
51016
ChEMBL
CHEMBL1345
Wikipedia
Guanethidine
Predicted Properties
PropertyValueSource
Water Solubility1.02 mg/mLALOGPS
logP0.78ALOGPS
logP0.8Chemaxon
logS-2.3ALOGPS
pKa (Strongest Basic)12.23Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area65.14 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity70 m3·mol-1Chemaxon
Polarizability23.75 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon