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CAS No.: | 357-56-2 |
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Name: | dextromoramide |
Molecular Structure: | |
Formula: | C25H32 N2 O2 |
Molecular Weight: | 392.541 |
Synonyms: | Pyrrolidine,1-(3-methyl-4-morpholino-2,2-diphenylbutyryl)-, (+)- (8CI);Pyrrolidine,1-[(3S)-3-methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl]- (9CI);Pyrrolidine, 1-[3-methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl]-, (S)-;(+)-1-(3-Methyl-4-morpholino-2,2-diphenylbutryl)pyrrolidine;(+)-4-[2-Methyl-4-oxo-3,3-diphenyl-4-(1-pyrrolidinyl)butyl]morpholine;Alcoid;Dauran;Dextromoramide;Dimorlin;Jetrium;Jetrium R;Linfadol;MCP 875;Moramide;Narcolo;Palfadonna;Palphium;Pyrrolamidol;Pyrrolamidolum;R 875;SKF 5137;Troxilan;Yetrium;d-2,2-Diphenyl-3-methyl-4-morpholinebutyropyrrolidine;d-2,2-Diphenyl-3-methyl-4-morpholinobutyrylpyrrolidine;d-3-Methyl-2,2-diphenyl-4-morpholinobutyrylpyrrolidine; |
EINECS: | 206-613-1 |
Density: | 1.121g/cm3 |
Melting Point: | 180-184° |
Boiling Point: | 579.6°Cat760mmHg |
Flash Point: | 304.3°C |
Safety: | Poison by subcutaneous and intravenous routes. Human systemic effects by subcutaneous and intramuscular routes: coma, cyanosis, respiratory depression, and nausea or vomiting. Caution: May be habit forming. This is a controlled substance (opiate) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.11 (1985). When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 32.78000 |
LogP: | 3.43920 |
The Dextromoramide, with the CAS registry number 357-56-2,is also known as (+)-1-[(S)-3-Methyl-4-morpholino-2,2-diphenylbutyryl]pyrrolidine;Pyrrolamidol. It belongs to the product categories of Organic matters. This chemical's molecular formula is C25H32N2O2 and molecular weight is 392.533. What's more,Its systematic name is Dextromoramide.It is an opioid analgesic structurally related to METHADONE and used in the treatment of severe pain. It will produce stimulation smoke when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Dextromoramide separate from raw materials of food.
Physical properties about Dextromoramide are:
(1);ACD/LogP:2.526; (2) # of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):1.17; (4)ACD/LogD (pH 7.4):2.42; (5)ACD/BCF (pH 5.5):2.15; (6)ACD/BCF (pH 7.4):38.28; (7)ACD/KOC (pH 5.5): 24.76; (8)ACD/KOC (pH 7.4): 440.93; (9)#H bond acceptors:4; (10)#H bond donors:0; (11)#Freely Rotating Bonds:6; (12)Index of Refraction:1.572; (13)Molar Refractivity:115.164 cm3; (14)Molar Volume:350.159 cm3; (15)Polarizability:45.655 10-24cm3; (16)Surface Tension:45.9809989929199 dyne/cm; (17)Density:1.121 g/cm3; (18)Flash Point:304.328 °C; (19) Enthalpy of Vaporization:86.716 kJ/mol; (20)Boiling Point:579.594 °C at 760 mmHg; (21)Vapour Pressure:0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(N1CCCC1)C(c2ccccc2)(c3ccccc3)C(C)CN4CCOCC4;
(2)Std. InChI:InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3;
(3)Std. InChIKey:INUNXTSAACVKJS-UHFFFAOYSA-N.
The toxicity data of Dextromoramide are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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human | TDLo | intramuscular | 57ug/kg (.057mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | New York State Journal of Medicine. Vol. 61, Pg. 83, 1961. |
mouse | LD50 | intravenous | 21mg/kg (21mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacy and Pharmacology. Vol. 9, Pg. 730, 1957. |
mouse | LD50 | oral | 168mg/kg (168mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacy and Pharmacology. Vol. 9, Pg. 730, 1957. |
mouse | LD50 | subcutaneous | 140mg/kg (140mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 433, 1961. | |
rat | LD50 | intravenous | 13mg/kg (13mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacy and Pharmacology. Vol. 9, Pg. 730, 1957. |
rat | LD50 | oral | 71800ug/kg (71.8mg/kg) | Drug Development Research. Vol. 1, Pg. 1, 1981. | |
rat | LD50 | subcutaneous | 50mg/kg (50mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacy and Pharmacology. Vol. 9, Pg. 730, 1957. |
women | TDLo | intramuscular | 200ug/kg (.2mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: NAUSEA OR VOMITING | Practitioner. Vol. 197, Pg. 348, 1966. |
women | TDLo | subcutaneous | 150ug/kg (.15mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | British Medical Journal. Vol. 1, Pg. 211, 1959. |