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| Name |
Methopholine |
EINECS | N/A |
| CAS No. | 2154-02-1 | Density | 1.131g/cm3 |
| PSA | 21.70000 | LogP | 4.45690 |
| Solubility | N/A | Melting Point |
110-111° |
| Formula | C20H24 Cl N O2 | Boiling Point | 449.3°Cat760mmHg |
| Molecular Weight | 345.869 | Flash Point | 225.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Isoquinoline,1-(p-chlorophenethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl- (6CI,7CI,8CI);1-(p-Chlorophenethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline;1-(p-Chlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;1-(p-Chlorophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline; ARC1-K-1; ARC I-K 1; Methopholine; Metofoline; Metopholine; NSC 169889; Ro 4-1778;Versidyne |
Methopholine Chemical Properties
IUPAC: 1-[2-(4-Chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Methopholine (2154-02-1) is also called for 1-(p-Chlorophenethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline ; 1-(p-Chlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline ; 1-(p-Chlorophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline ; ARC I-K-1 ; Isoquinoline, 1-(2-(4-chlorophenyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl- ; Mesofolin ; Metofolina ; Metofoline ; Metofolinum ; Metopholine ; NIH 7672 ; NSC 169889 ; Ro 4-1778/1 ; UNII-72L4ZT2W1P ; Versidyne and so on.
Molecular Formula: C20H24ClNO2
Molecular Weight: 345.86
LogP: ACD/LogP: 4.94
XLogP: 4.10
ALOGPS: 4.26
ACD/LogD (pH 5.5): 2.52
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 5.5): 12.76
ACD/BCF (pH 7.4): 651.23
ACD/KOC (pH 5.5): 44.19
ACD/KOC (pH 7.4): 2255.43
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 5
Heavy Atom Count: 24
Formal Charge: 0
Complexity: 386
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.559
Molar Refractivity: 98.76 cm3
Molar Volume: 305.5 cm3
Surface Tension: 39.3 dyne/cm
Density: 1.131 g/cm3
Flash Point: 225.5°C
Enthalpy of Vaporization: 70.8 kJ/mol
Boiling Point: 449.3°C at 760 mmHg
The molecular structure of Methopholine (2154-02-1) :
Methopholine Uses
Methopholine (2154-02-1) is used as opioids, it has around the same efficacy as an analgesic as codeine, and was evaluated for the treatment of postoperative pain, but never commercialised.
Methopholine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 295mg/kg (295mg/kg) | Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 318, 1965. | |
| mouse | LD50 | intraperitoneal | 70mg/kg (70mg/kg) | Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 318, 1965. | |
| mouse | LD50 | intravenous | 25mg/kg (25mg/kg) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 334, 1964. | |
| mouse | LD50 | oral | 180mg/kg (180mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Experientia. Vol. 18, Pg. 446, 1962. |
| mouse | LD50 | subcutaneous | 180mg/kg (180mg/kg) | "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 966, 1989. | |
| rabbit | LD50 | intravenous | 30mg/kg (30mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Experientia. Vol. 18, Pg. 446, 1962. |
| rat | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 318, 1965. | |
| rat | LD50 | oral | 400mg/kg (400mg/kg) | Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 318, 1965. | |
| rat | LD50 | subcutaneous | 400mg/kg (400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Experientia. Vol. 18, Pg. 446, 1962. |
Methopholine Safety Profile
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Methopholine Specification
Treatment of Methopholine (2154-02-1) in Wastewater,see as follows :
Total removal:72.78 percent
Total biodegradation:0.64 percent
Total sludge adsorption:72.13 percent
Total to air:0.00 percent
(using 10000 hr Bio P,A,S)
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