The molecular structure of Guanethidine Monosulfate (CAS NO.645-43-2) :
IUPAC Name: 2-[2-(azocan-1-yl)ethyl]guanidine; sulfuric acid
Empirical Formula: C10H24N4O4S
Molecular Weight: 296.387
EINECS: 211-442-0
H bond acceptors: 4
H bond donors: 4
Freely Rotating Bonds: 3
Polar Surface Area: 22.08Å2
Flash Point: 162.8 °C
Enthalpy of Vaporization: 58.97 kJ/mol
Boiling Point: 345.6 °C at 760 mmHg
Vapour Pressure: 6.09E-05 mmHg at 25°C
InChI
InChI=1/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)
Smiles
C1CCCCCCN1CCNC(=N)N.S(O)(O)(=O)=O
Classification Code: Antihypertensive; Drug / Therapeutic Agent; Skin / Eye Irritant
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 180mg/kg (180mg/kg) | Bollettino Chimico Farmaceutico. Vol. 111, Pg. 353, 1972. | |
mouse | LD50 | intravenous | 18500ug/kg (18.5mg/kg) | Bollettino Chimico Farmaceutico. Vol. 111, Pg. 353, 1972. | |
mouse | LD50 | oral | 1gm/kg (1000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archiv der Pharmazie Vol. 321, Pg. 57, 1988. |
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. A human eye irritant. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Hazard Codes: Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 25-36
S25:Avoid contact with eyes.
S36:Wear suitable protective clothing.
RTECS: MF3150000
Guanethidine monosulfate , with CAS number of 645-43-2, can be called Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-, sulfate (1:1) ; Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)- ; 2-(1-N,N-Heptamethyleneimino)ethylguanidine ; 2-[2-(azocan-1-yl)ethyl]guanidine; sulfuric acid ; (2-(Octahydro-1-azocinyl)ethyl)guanidine ; (2-(Hexahydro-1(2H)-azocinyl)ethyl)guanidine sulfate (1:1) . It should be stored in tightly closed container at room temperature. Guanethidine monosulfate (CAS NO.645-43-2) can be used to treat moderate and severe hypertension and renal hypertension, including that secondary to pyelonephritis, renal amyloidosis and renal artery stenosis.
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