CAS No.81486-22-8,Nipradilol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	81486-22-8
Name:	Nipradilol
Article Data:	5

Formula:	C₁₅H₂₂N₂O₆
Molecular Weight:	326.349
Synonyms:	Hypadil;K351;KT 210;2H-1-Benzopyran-3-ol,3,4-dihydro-8-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, 3-nitrate;Nipradolol;
Density:	1.278 g/cm³
Melting Point:	110-122 °C
Boiling Point:	499.992 °C at 760 mmHg
Flash Point:	256.186 °C
Appearance:	Colorless needle crystal
PSA:	105.77000
LogP:	1.85020

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Specification

The Nipradilol, with the CAS registry number 81486-22-8, is also known as 2H-1-Benzopyran-3-ol,3,4-dihydro-8-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, 3-nitrate. This chemical's molecular formula is C₁₅H₂₂N₂O₆ and molecular weight is 326.34. What's more, its systematic name is 8-[2-Hydroxy-3-(isopropylamino)propoxy]-3,4-dihydro-2H-chromen-3-yl nitrate. Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic Antagonists; (3)Adrenergic alpha-antagonists; (4)Adrenergic beta-Antagonists; (5)Antihypertensive agents; (6)Cardiovascular Agents; (7)Drug / Therapeutic Agent; (8)Neurotransmitter Agents; (9)Reproductive Effect; (10)Vasodilator agents. This chemical has the function of beta blocking and hemangiectasis, and it has no endogenous sympathomimetic function. It can reduce heart beat, myocardial oxygen consumption and coronary flow. It is used in the moderate essential hypertension.

Physical properties of Nipradilol are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.10; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 1.00 ; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 4.13; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 105.77 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 82.753 cm³; (15)Molar Volume: 255.435 cm³; (16)Polarizability: 32.806×10^-24cm³; (17)Surface Tension: 53.31 dyne/cm; (18)Density: 1.278 g/cm³; (19)Flash Point: 256.186 °C; (20)Enthalpy of Vaporization: 80.929 kJ/mol; (21)Boiling Point: 499.992 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)OC1Cc2c(OC1)c(OCC(O)CNC(C)C)ccc2
(2)Std. InChI: InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13(23-17(19)20)9-22-15(11)14/h3-5,10,12-13,16,18H,6-9H2,1-2H3
(3)Std. InChIKey: OMCPLEZZPVJJIS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	20mg/kg (20mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
dog	LD50	oral	> 400mg/kg (400mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: NAUSEA OR VOMITING	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
mouse	LD50	intraperitoneal	147mg/kg (147mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
mouse	LD50	intravenous	68mg/kg (68mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
mouse	LD50	oral	461mg/kg (461mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
mouse	LD50	subcutaneous	416mg/kg (416mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
rabbit	LD50	intravenous	20mg/kg (20mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989.
rabbit	LD50	oral	300mg/kg (300mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
rat	LD50	intraperitoneal	144mg/kg (144mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
rat	LD50	intravenous	78mg/kg (78mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
rat	LD50	oral	1040mg/kg (1040mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.
rat	LD50	subcutaneous	850mg/kg (850mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Oyo Yakuri. Pharmacometrics. Vol. 29, Pg. 725, 1985.