Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Nadolol |
EINECS | 255-706-3 |
CAS No. | 42200-33-9 | Density | 1.19 g/cm3 |
PSA | 81.95000 | LogP | 1.02570 |
Solubility | 8.30g/L(25 oC) | Melting Point |
125-130 °C |
Formula | C17H27NO4 | Boiling Point | 526.437 °C at 760 mmHg |
Molecular Weight | 309.406 | Flash Point | 272.179 °C |
Transport Information | N/A | Appearance | White Solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Anabet;Corgard;SQ 11725;Solgol;2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, cis-;(2R,3S)-5-{[(2R)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-1,2,3,4-tetrahydronaphthalene-2,3-diol; |
Article Data | 4 |
carbon dioxide
nadolol
Na[Cu(5-[3-(tert-butylamino)-2-oxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol)CO3)*H2O
Conditions | Yield |
---|---|
With NaOH In water 1 equiv. of nadolol was dissolved in 0.05 M NaOH in MeOH in contact withair, 0.05 M MeOH soln. of 0.5 equiv. of CuCl2*2H2O was added; soln. was filtered, H2O was added, ppt. was filtered off, washed with MeOH and dried at room temp., elem. anal.; | 45% |
Conditions | Yield |
---|---|
With diethylamine In ethanol; n-heptane at 23℃; Resolution of racemate; |
The Nadolol, with the CAS registry number 42200-33-9, is also known as 2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, cis-. It belongs to the product categories of Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Isotope Labelled Compounds. Its EINECS number is 255-706-3. This chemical's molecular formula is C17H27NO4 and molecular weight is 309.40. What's more, its systematic name is (2R,3S)-5-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-1,2,3,4-tetrahydro-2,3-naphthalenediol. Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic Antagonists; (3)Adrenergic beta-antagonists; (4)Anti-adrenergic [beta-receptor]; (5)Anti-arrhythmia agents; (6)Antihypertensive agents; (7)Autonomic Agents; (8)Cardiovascular Agents; (9)Drug / Therapeutic Agent; (10)Human Data; (11)Neurotransmitter Agents; (12)Peripheral Nervous System Agents; (13)Reproductive Effect; (14)Sympatholytics. Nadolol is a non-selective beta blocker used in the treatment of high blood pressure, migraine headaches, and chest pain. It is polar and hydrophilic, with low lipid solubility.
Physical properties of Nadolol are: (1)ACD/LogP: 0.564; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -1.54; (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): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 81.95 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 85.75 cm3; (15)Molar Volume: 260.026 cm3; (16)Polarizability: 33.994×10-24cm3; (17)Surface Tension: 46.64 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 272.179 °C; (20)Enthalpy of Vaporization: 84.297 kJ/mol; (21)Boiling Point: 526.437 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2
(2)Std. InChI: InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
(3)Std. InChIKey: VWPOSFSPZNDTMJ-UCWKZMIHSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | oral | > 500mg/kg (500mg/kg) | Drugs in Japan Vol. -, Pg. 767, 1990. | |
man | TDLo | oral | 571ug/kg (.571mg/kg) | SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE | Annals of Internal Medicine. Vol. 97, Pg. 454, 1982. |
man | TDLo | oral | 64mg/kg/4W-I (64mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS | British Journal of Clinical Practice. Vol. 43, Pg. 74, 1989. |
mouse | LD50 | intraperitoneal | 270mg/kg (270mg/kg) | "Pharmacology of Antihypertensive Drugs," Scriabine, A., ed., New York, Raven Press, 1980Vol. -, Pg. 295, 1980. | |
mouse | LD50 | intravenous | 47100ug/kg (47.1mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 1461, 1985. | |
mouse | LD50 | oral | 3800mg/kg (3800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 527, 1981. |
mouse | LD50 | subcutaneous | > 1gm/kg (1000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 527, 1981. |
rat | LD50 | intraperitoneal | 322mg/kg (322mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 1461, 1985. | |
rat | LD50 | intravenous | 59200ug/kg (59.2mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 1461, 1985. | |
rat | LD50 | oral | 5300mg/kg (5300mg/kg) | "Pharmacology of Antihypertensive Drugs," Scriabine, A., ed., New York, Raven Press, 1980Vol. -, Pg. 295, 1980. | |
rat | LD50 | subcutaneous | > 1gm/kg (1000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 527, 1981. |