IUPAC Name: tert-Butyl-[3-(2-cyanophenoxy)-2-hydroxypropyl]azanium chloride
Synonyms of Bunitrolol hydrochloride (CAS NO.23093-74-5): 1-t-Butylamino-3-(2-nitrilophenoxy)-2-propanol hydrochloride ; Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride ; Betrilol ; Bunitrolol HCl ; Stresson ;o-(2-Hydroxy-3-(tert-butylamino)propoxy)benzonitrile hydrochloride ; o-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride ; 2-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride ; Benzonitrile, o-(3-(tert-butylamino)-2-hydroxypropoxy)-, monohydrochloride
InChI: InChI=1/C14H20N2O2.ClH/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15;/h4-7,12,16-17H,9-10H2,1-3H3;1H
InChIKey: RJPWESHPIMRNNM-UHFFFAOYAX
Std. InChI: InChI=1S/C14H20N2O2.ClH/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15;/h4-7,12,16-17H,9-10H2,1-3H3;1H
Std. InChIKey: RJPWESHPIMRNNM-UHFFFAOYSA-N
CAS NO: 23093-74-5
Molecular Formula: C14H21ClN2O2
Molecular Weight: 284.7817
Molecular Structure :
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 42.25 Å2
Flash Point: 204.3 °C
Enthalpy of Vaporization: 70.33 kJ/mol
Boiling Point: 414.2 °C at 760 mmHg
Vapour Pressure: 1.33E-07 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 36mg/kg (36mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983. | |
dog | LD50 | oral | 490mg/kg (490mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983. | |
mouse | LD50 | intraperitoneal | 265mg/kg (265mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 457, 1975. |
mouse | LD50 | oral | 250mg/kg (250mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 25, 1981. |
mouse | LD50 | subcutaneous | 542mg/kg (542mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 457, 1975. |
rabbit | LD50 | intravenous | 26900ug/kg (26.9mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 457, 1975. |
rabbit | LD50 | oral | 430mg/kg (430mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 25, 1981. |
rat | LD50 | intraperitoneal | 222mg/kg (222mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 457, 1975. |
rat | LD50 | intravenous | 69mg/kg (69mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 457, 1975. |
rat | LD50 | oral | 639mg/kg (639mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 457, 1975. |
rat | LD50 | subcutaneous | 902mg/kg (902mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 457, 1975. |
Cyanide and its compounds are on the Community Right-To-Know List.
Poison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by subcutaneous route. Experimental reproductive effects. An experimental teratogen. When Bunitrolol hydrochloride (CAS NO.23093-74-5) is heated to decomposition, it emits toxic fumes of NOx, CN− and HCl. See also NITRILES.
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