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