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Name	Bucumolol hydrochloride	EINECS	N/A
CAS No.	36556-75-9	Density	g/cm³
PSA	71.70000	LogP	3.42210
Solubility	N/A	Melting Point	226-228° (dec)
Formula	C17H23 N O4 . Cl H	Boiling Point	490.7°Cat760mmHg
Molecular Weight	341.87	Flash Point	250.6°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x and HCl.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2H-1-Benzopyran-2-one,8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride(9CI); 2H-1-Benzopyran-2-one,8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride, (?à)-; (?à)-5-Methyl-8-(2-hydroxy-3-tert-butylaminopropoxy)coumarinhydrochloride; 8-(2-Hydroxy-3-tert-butylaminopropoxy)-5-methylcoumarinhydrochloride; Bucumarol; Bucumolol hydrochloride; CS 359;DL-5-Methyl-8-(2-hydroxy-3-tert-butylaminopropoxy)coumarin hydrochloride;dl-Bucumolol hydrochloride

Bucumolol hydrochloride Chemical Properties

IUPAC Name: 8-[3-(tert-Butylamino)-2-hydroxypropoxy]-5-methylchromen-2-one hydrochloride
Synonyms of Bucumolol hydrochloride (CAS NO.36556-75-9): 5-Methyl-8-(2-hydroxy-3-t-butylaminopropoxy)coumarin hydrochloride, dl- ; 8-(3-tert-Butylamino-2-hydroxy)propoxy-5-methylcoumarin hydrochloride ; Bucumarol ; 2H-1-Benzopyran-2-one, 8-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-5-methyl-, hydrochloride, (+-)-
InChI: InChI=1/C17H23NO4.ClH/c1-11-5-7-14(16-13(11)6-8-15(20)22-16)21-10-12(19)9-18-17(2,3)4;/h5-8,12,18-19H,9-10H2,1-4H3;1H
InChIKey: OQVOZUWFVLLPRL-UHFFFAOYAE
Std. InChI: InChI=1S/C17H23NO4.ClH/c1-11-5-7-14(16-13(11)6-8-15(20)22-16)21-10-12(19)9-18-17(2,3)4;/h5-8,12,18-19H,9-10H2,1-4H3;1H
Std. InChIKey: OQVOZUWFVLLPRL-UHFFFAOYSA-N
CAS NO: 36556-75-9
Molecular Formula: C₁₇H₂₄ClNO₄
Molecular Weight: 341.8298
Molecular Structure :
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 48 Å²
Flash Point: 250.6 °C
Enthalpy of Vaporization: 79.76 kJ/mol
Boiling Point: 490.7 °C at 760 mmHg
Vapour Pressure: 1.91E-10 mmHg at 25°C

Bucumolol hydrochloride Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	59200ug/kg (59.2mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 349, 1982.
mouse	LD50	intravenous	31600ug/kg (31.6mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Japanese Journal of Pharmacology. Vol. 23, Pg. 497, 1973.
mouse	LD50	oral	676mg/kg (676mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 349, 1982.
mouse	LD50	subcutaneous	82300ug/kg (82.3mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 349, 1982.
rat	LD50	intraperitoneal	59200ug/kg (59.2mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 131, 1982.
rat	LD50	intravenous	31600ug/kg (31.6mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 131, 1982.
rat	LD50	oral	676mg/kg (676mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 131, 1982.
rat	LD50	subcutaneous	82300ug/kg (82.3mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 131, 1982.

Bucumolol hydrochloride Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When Bucumolol hydrochloride (CAS NO.36556-75-9) is heated to decomposition, it emits toxic fumes of NO_x and HCl.

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