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Nipradilol

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Name

Nipradilol

EINECS N/A
CAS No. 81486-22-8 Density 1.278 g/cm3
PSA 105.77000 LogP 1.85020
Solubility N/A Melting Point 110-122 °C
Formula C15H22N2O6 Boiling Point 499.992 °C at 760 mmHg
Molecular Weight 326.349 Flash Point 256.186 °C
Transport Information N/A Appearance Colorless needle crystal
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 81486-22-8 (Nipradilol) Hazard Symbols N/A
Synonyms

Hypadil;K351;KT 210;2H-1-Benzopyran-3-ol,3,4-dihydro-8-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, 3-nitrate;Nipradolol;

Article Data 5

Nipradilol 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.

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