Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Fentanyl citrate |
EINECS | 213-588-0 |
CAS No. | 990-73-8 | Density | N/A |
PSA | 155.68000 | LogP | 2.82610 |
Solubility | Soluble to 40 mM in Water | Melting Point |
153-156 °C |
Formula | C22H28N2O.C6H8O7 | Boiling Point | 466.2 °C at 760 mmHg |
Molecular Weight | 528.602 | Flash Point | 185.8 °C |
Transport Information | UN 2811 | Appearance | White powder |
Safety | 7-16-36/37-45-36/37/39 | Risk Codes | 26/27/28-42/43-39/23/24/25-23/24/25-11 |
Molecular Structure | Hazard Symbols | T+, T, F | |
Synonyms |
Fentanyl citrate (JP14/USP);Fentanyl dihydrogen citrate;Propanamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)- (9CI);N-(1-Phenethyl-4-piperidinyl)propionanilide dihydrogen citrate;Sublimaze;2-hydroxypropane-1,2,3-tricarboxylic acid; N-(1-phenethyl-4-piperidyl)-N-phenyl-propanamide;Oralet (TN);Fentanila;Propanamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Oralet;Fentanyl citrate [USAN:JAN];N-(1-Phenethyl-4-piperidyl)propionanilide citrate (1:1);N-(1-Phenethyl-4-piperidyl)propionanilide citrate;Duragesic;Durogesic;N-(1-Phenethyl-4-piperidinyl)-N-phenylpropionamide;N-(1-phenethyl-4-piperidyl)-N-phenyl-propanamide;R 5240;Fentanylum;Actiq;Sentonil;N-(1-Phenethyl-4-piperidyl)propionanilide;Phentanyl citrate;McN-JR-4263-49;Innovar;N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide;N-(1-Phenethyl-4-piperidyl)propionanilide dihydrogen citrate;Fentaz;Fentanylum [INN-Latin];N-Phenethyl-4-(N-propionylanilino)piperidine;Propionanilide, N-(1-phenethyl-4-piperidyl)-, citrate (1:1);80832-90-2;McN-JR 4263;Leptanal;Propanamide,N-phenyl-N-[1-(2-phenylethyl)- 4-piperidinyl]-,2-hydroxy-1,2,3- propanetricarboxylate (1:1);SUBLIMAZE CITRATE;PHENTANYL CITRATE;N-(1-PHENETHYL-4-PIPERIDYL)-PROPION-ANILIDE CITRATE;PENTANYL;N-(1-PHENETHYL-4-PIPERIDYL)PROP-IONANILIDE DIHYDROGEN CITRATE;N-(1-PHENETHYL-4-PIPERIDINYL)PROPIONANILIDE DIHYDRO-GEN CITRATE;DEA No. 9801;Fentanil [DCIT];Propionanilide, N-(1-phenethyl-4-piperidyl)-;Fentanila [INN-Spanish];5-22-08-00049 (Beilstein Handbook Reference); |
Article Data | 3 |
The IUPAC name of Phentanyl citrate is 2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide. With the CAS registry number 990-73-8 and EINECS 213-588-0, it is also named as N-(1-Phenethyl-4-piperidinyl)propionanilide dihydrogen citrate. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals. It is white powder which is soluble in methanol and slightly soluble in chloroform. When heated to decomposition this chemical emits toxic fumes of NOx.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 23.4; (7)ACD/KOC (pH 5.5): 4.24; (8)ACD/KOC (pH 7.4): 136.78; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å2; (13)Enthalpy of Vaporization: 72.79 kJ/mol; (14)Vapour Pressure: 7.25E-09 mmHg at 25°C; (15)Rotatable Bond Count: 11; (16)Exact Mass: 528.247166; (17)MonoIsotopic Mass: 528.247166; (18)Topological Polar Surface Area: 156; (19)Heavy Atom Count: 38; (20)Complexity: 618.
Preparation of Phentanyl citrate: First, we can get Fentanyl alkali by phenylethylamine from the addition, cyclization, condensation, reduction and propionyl. And then, after the salting of Fentanyl alkali and citrate, we can get the product.
Uses of Phentanyl citrate: It is an analgesic for short time. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep away from sources of ignition. It is also toxic by inhalation, in contact with skin and if swallowed. What's more, it has danger of very serious irreversible effects. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Keep container tightly closed.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)C(O)(CC(=O)O)CC(=O)O.O=C(N(c1ccccc1)C3CCN(CCc2ccccc2)CC3)CC
2. InChI:InChI=1/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | TDLo | intravenous | 15ug/kg/7M-C (0.015mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: REGIDITY LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Anesthesiology. Vol. 78, Pg. 629, 1993. |
mouse | LD50 | intraperitoneal | 68400ug/kg (68.4mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 535, 1979. | |
mouse | LD50 | intravenous | 10100ug/kg (10.1mg/kg) | Drugs in Japan Vol. 6, Pg. 666, 1982. | |
mouse | LD50 | oral | 368mg/kg (368mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 535, 1979. | |
mouse | LD50 | subcutaneous | 62mg/kg (62mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 48, 1964. |
rat | LD50 | intraperitoneal | 2070ug/kg (2.07mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 535, 1979. | |
rat | LD50 | intravenous | 990ug/kg (0.99mg/kg) | Drugs in Japan Vol. 6, Pg. 666, 1982. | |
rat | LD50 | oral | 18mg/kg (18mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. | |
rat | LD50 | subcutaneous | 5460ug/kg (5.46mg/kg) | Drugs in Japan Vol. 6, Pg. 666, 1982. |