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| CAS No.: | 525-66-6 |
|---|---|
| Name: | 1-Isopropylamino-3-(naphthalen-1-yloxy)-propan-2-ol |
| Article Data: | 126 |
| Molecular Structure: | |
|
|
|
| Formula: | C16H21 N O2 |
| Molecular Weight: | 259.348 |
| Synonyms: | 2-Propanol,1-(isopropylamino)-3-(1-naphthyloxy)- (7CI,8CI); (?à)-Propranolol; 1-(1-Naphthyloxy)-3-(isopropylamino)-2-propanol;1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol;3-(Naphth-1-yloxy)-1-(isopropylamino)propan-2-ol; AY 64043; Betalong;DL-Propranolol; Euprovasin; Innopran XL; Propranolol; Proprasylyt; Racemicpropranolol; Reducor; dl-Propranolol; b-Propranolol |
| EINECS: | 208-378-0 |
| Density: | 1.093 g/cm3 |
| Melting Point: | 163-164 °C |
| Boiling Point: | 434.9 °C at 760 mmHg |
| Flash Point: | 216.8 °C |
| Solubility: | Sol of 1 in 20 of water or alcohol; sltly sol in chloroform; practically insol in ether. |
| Appearance: | White, odorless crystalline powder. |
| Hazard Symbols: | Highly toxic. |
| Safety: | A deadly human poison by ingestion and intravenous routes. Poison experimentally by ingestion, intraperitoneal, intravenous, and subcutaneous routes. Human systemic effects by ingestion: cardiac arrhythmias, hallucinations, hypoglycemia, convulsions, and thyroid malfunction. Human reproductive and teratogenic effects by ingestion: extra embryonic structures, abnormal Apgar score in newborn, and abnormal growth statistics. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also INDERAL HYDROCHLORIDE. |
| PSA: | 41.49000 |
| LogP: | 2.96840 |
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- 91740-63-5
3-isopropyl-5-<(nphthyloxy)methyl>oxazolidin-2-one
- 525-66-6
propranolol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In benzene for 24h; Heating; | 100% |
| Conditions | Yield |
|---|---|
| With acetic acid In water at 20℃; for 8h; | 99% |
| In water | 94% |
| Stage #1: 3-(1-naphthyloxy)-1,2-epoxypropane With calcium chloride In acetonitrile Stage #2: isopropylamine In acetonitrile Further stages.; | 93% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel(II) chloride hexahydrate In water at 20℃; for 24h; Inert atmosphere; Green chemistry; | 94% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; sodium hydroxide In water at 0 - 100℃; for 5h; Reagent/catalyst; Solvent; | 90% |
| Stage #1: α-naphthol; epichlorohydrin With potassium tert-butylate In dimethyl sulfoxide at 70℃; for 0.333333h; Williamson Ether Synthesis; Flow reactor; Stage #2: isopropylamine In dimethyl sulfoxide at 140℃; under 5250.53 Torr; for 0.333333h; Flow reactor; | 47 %Chromat. |
| Conditions | Yield |
|---|---|
| In 5,5-dimethyl-1,3-cyclohexadiene at 40℃; for 4h; Solvent; Temperature; | 88.9% |
- 2461-42-9
3-(1-naphthyloxy)-1,2-epoxypropane
- 75-31-0
isopropylamine
A
- 83314-78-7
N-Isopropyl-N,N-di-<3-(1-naphthoxy)-2-hydroxypropyl>amin
B
- 525-66-6
propranolol
| Conditions | Yield |
|---|---|
| In toluene for 4h; | A 60% B n/a |
- 82616-68-0
1-(3,4-Dihydro-naphthalen-1-yloxy)-3-isopropylamino-propan-2-ol
- 525-66-6
propranolol
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone | 59% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran | A n/a B n/a C 35% |
- 129459-75-2
1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-yl acetate
- 525-66-6
propranolol
| Conditions | Yield |
|---|---|
| at 37℃; Rate constant; plasma intestine and liver of rats; |
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Chemistry
Molecular Structure of Inderal (CAS NO.525-66-6):
Molecular Formula: C16H21NO2
Molecular Weight: 259.34344
IUPAC Name: 1-(Isopropylamino)-3-(1-naphthyloxy)propan-2-ol
CAS: 525-66-6
EINECS: 208-378-0
SMILES: OC(CNC(C)C)COc2cccc1ccccc12
InChI: InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKey: AQHHHDLHHXJYJD-UHFFFAOYAS
Std.InChI: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Std.InChIKey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
Melting Point: 163-164℃
Boiling Point: 434.9℃ at 760mmHg
Flash Point: 216.8℃
Molar Volume: 237.1cm3
Density: 1.093g/cm3
Index of Refraction: 1.58
Molar Refractivity: 78.98cm3
Surface Tension: 42.6dyne/cm
Polarizability: 31.31 10-24cm3
Enthalpy of Vaporization: 72.84kJ/mol
Vapour Pressure: 2.48E-08mmHg at 25℃
Uses
Inderal (CAS NO.525-66-6) can be used for medication (vet).
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | LDLo | oral | 800ug/kg/12H (0.8mg/kg) | CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | British Medical Journal. Vol. 2, Pg. 254, 1978. |
| child | TDLo | oral | 400mg/kg (400mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) | Medical Journal of Australia. Vol. 1, Pg. 82, 1981. |
| dog | LDLo | intraperitoneal | 40mg/kg (40mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Pharmazie. Vol. 31, Pg. 635, 1976. |
| dog | LDLo | oral | 120mg/kg (120mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 69(4), Pg. 262P, 1973. |
| guinea pig | LD50 | intravenous | 26mg/kg (26mg/kg) | Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 24, Pg. 103, 1972. | |
| human | LDLo | intravenous | 71ug/kg (0.071mg/kg) | Lancet. Vol. 1, Pg. 165, 1967. | |
| human | TDLo | oral | 2300ug/kg/D (2.3mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | British Medical Journal. Vol. 1, Pg. 1182, 1978. |
| man | TDLo | oral | 8343mg/kg/4Y- (8343mg/kg) | ENDOCRINE: EVIDENCE OF THYROID HYPERFUNCTION | Archives of Internal Medicine. Vol. 143, Pg. 2193, 1983. |
| man | TDLo | unreported | 22857ug/kg/40 (22.857mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHANGE IN ACUITY: EAR | British Medical Journal. Vol. 289, Pg. 1490, 1984. |
| mouse | LD50 | intraperitoneal | 42mg/kg (42mg/kg) | AUTONOMIC NERVOUS SYSTEM: BETA ADRENERGIC BLOCKAGE | Ain Shams Medical Journal. Vol. 30, Pg. 23, 1979. |
| mouse | LD50 | intravenous | 24400ug/kg (24.4mg/kg) | United States Patent Document. Vol. #4013663, | |
| mouse | LD50 | oral | 289mg/kg (289mg/kg) | AUTONOMIC NERVOUS SYSTEM: BETA ADRENERGIC BLOCKAGE | Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 1831, 1980. |
| mouse | LD50 | subcutaneous | 150mg/kg (150mg/kg) | Farmakologiya i Toksikologiya Vol. 44, Pg. 342, 1981. | |
| rat | LD50 | intravenous | 23mg/kg (23mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Pharmazie. Vol. 31, Pg. 635, 1976. |
| rat | LD50 | oral | 660mg/kg (660mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Pharmazie. Vol. 31, Pg. 635, 1976. |
| women | LDLo | oral | 120mg/kg (120mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 41, Pg. 190, 1977. | |
| women | TDLo | oral | 3200ug/kg/2D- (3.2mg/kg) | ENDOCRINE: HYPOGLYCEMIA | Israel Journal of Medical Sciences. Vol. 18, Pg. 725, 1982. |
| women | TDLo | oral | 708mg/kg/39W- (708mg/kg) | Annals of Pharmacotherpy. Vol. 27, Pg. 512, 1993. |
Safety Profile
A deadly human poison by ingestion and intravenous routes. Poison experimentally by ingestion, intraperitoneal, intravenous, and subcutaneous routes. Human systemic effects by ingestion: cardiac arrhythmias, hallucinations, hypoglycemia, convulsions, and thyroid malfunction. Human reproductive and teratogenic effects by ingestion: extra embryonic structures, abnormal Apgar score in newborn, and abnormal growth statistics. Mutation data reported.
Specification
Inderal (CAS NO.525-66-6),which also can be called for 1-Isopropylamino-3-(1-naphthyloxy)propan-2-ol ; Propranolol Base ; 1-[Isopropylamino]-3-[1-naphthyloxy]-2-propanol ; 2-Propanol,1-(1-methylethyl)amino-3-(1-naphthalenyloxy)- ; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol ; 1-(1-Naphthyloxy)-3-(isopropylamino)-2-propanol ; 2-Propanol,1-(isopropylamino)-3-(1-naphthyloxy)- (7CI,8CI) ; 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- (9CI) .When Inderal (525-66-6) was heated,it emits toxic fumes of NOx .This chemical is a crystals from Cyclohexane and it's slightly soluble in water.It is stable to heat, unstable to light.