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22195-34-2 molecular structure
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2-{1,4-dioxaspiro[4.5]decan-2-ylmethyl}guanidine

ChemBase ID: 111
Molecular Formular: C10H19N3O2
Molecular Mass: 213.27676
Monoisotopic Mass: 213.14772686
SMILES and InChIs

SMILES:
O1C2(OCC1CN=C(N)N)CCCCC2
Canonical SMILES:
NC(=NCC1COC2(O1)CCCCC2)N
InChI:
InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)
InChIKey:
HPBNRIOWIXYZFK-UHFFFAOYSA-N

Cite this record

CBID:111 http://www.chembase.cn/molecule-111.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{1,4-dioxaspiro[4.5]decan-2-ylmethyl}guanidine
IUPAC Traditional name
guanadrel sulfate
Brand Name
Guanadrel
Hylorel
Synonyms
Guanadrelum [INN-Latin]
Guanadrel Sulfate
CAS Number
22195-34-2
PubChem SID
46506457
160963574
PubChem CID
38521

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 38521 external link
DrugBank DB00226 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 19.85249  H Acceptors
H Donor LogD (pH = 5.5) -1.7920351 
LogD (pH = 7.4) -1.791258  Log P 0.62341374 
Molar Refractivity 56.5388 cm3 Polarizability 22.110472 Å3
Polar Surface Area 82.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 0.03  LOG S -2.04 
Solubility (Water) 1.93e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Hydrophobicity(logP)
0.6 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00226 external link
Item Information
Drug Groups approved
Description Guanadrel is a postganglionic adrenergic blocking agent. Uptake of guanadrel and storage in sympathetic neurons occurs via the norepinephrine pump or transporter.
Indication Used to treat and control hypertension.
Pharmacology High blood pressure adds to the work load of the heart and arteries. If it continues for a long time, the heart and arteries may not function properly. This can damage the blood vessels of the brain, heart, and kidneys resulting in a stroke, heart failure, or kidney failure. High blood pressure may also increase the risk of heart attacks. These problems may be less likely to occur if blood pressure is controlled. Guanadrel works by controlling nerve impulses along certain nerve pathways. As a result, it relaxes the blood vessels so that blood passes through them more easily. This helps to lower blood pressure.
Toxicity Side effects include dizziness, drowsiness, headache, constipation, diarrhea, gas pains, loss of appetite, fatigue, and nasal congestion.
Affected Organisms
Humans and other mammals
Biotransformation Primarily hepatic
Absorption Rapidly and readily absorbed from the gastrointestinal tract.
Half Life 10 hours
Protein Binding Low, approximately 20%
External Links
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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