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CAS No.: | 92-13-7 |
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Name: | PILOCARPINE |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C11H16N2O2 |
Molecular Weight: | 208.26 |
Synonyms: | 2(3H)-Furanone,3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-;Pilocarpine(8CI);(+)-Pilocarpine;Ocucarpine;Ocusert P 20;Ocusert Pilo;Ocusert Pilo40;Pilocarpine, (+)-;Pilocarpol;Pilokarpin;Syncarpine; |
EINECS: | 202-128-4 |
Density: | 1.22 g/cm3 |
Melting Point: | 34° |
Boiling Point: | 431.8 °C at 760 mmHg |
Flash Point: | 215 °C |
Hazard Symbols: | T+ |
Risk Codes: | 26/28 |
Safety: | 25-45 |
PSA: | 44.12000 |
LogP: | 1.16180 |
Reported in EPA TSCA Inventory.
The Pilocarpine, with the CAS registry number 92-13-7, is also known as (3S-cis)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone. Its EINECS registry number is 202-128-4. This chemical's molecular formula is C11H16N2O2 and molecular weight is 208.26. Its IUPAC name is called (3S,4R)- 3-ethyl- 4-((1-methyl- 1H-imidazol- 5-yl) methyl)dihydrofuran- 2(3H)-one.
Physical properties of Pilocarpine: (1)ACD/LogP: -0.10; (2)ACD/LogD (pH 5.5): -1.58; (3)ACD/LogD (pH 7.4): -0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.99; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 57.02 cm3; (12)Molar Volume: 170.1 cm3; (13)Surface Tension: 41.9 dyne/cm; (14)Density: 1.22 g/cm3; (15)Flash Point: 215 °C; (16)Enthalpy of Vaporization: 68.75 kJ/mol; (17)Boiling Point: 431.8 °C at 760 mmHg; (18)Vapour Pressure: 1.16E-07 mmHg at 25°C.
Preparation of Pilocarpine: The drug and powdered leaf of pilocarpin microfelixis are subjected to extracted forotoal alkaloid with ethanol acidified with HCL with solvents removed under reduced pressure and resultant aqueous residue is neutralized with ammonia and kept aside till all the resin is settled down completely. It is filtered and concentrated by sugar solution to a small volume, made alkaloid with ammonia, and finally extracted with chloroform. The solvent is removed under reduced pressure.
Uses: Pilocarpine has been used in the treatment of chronic open-angle glaucoma and acute angle-closure glaucoma for over 100 years. Pilocarpine is often used as an antidote for scopolamine, atropine, and hyoscyamine poisoning. In ophthalmology pilocarpine is also used to reduce the possibility of glare at night from lights if the patient underwent implantation of phakic intraocular lenses; the use of pilocarpine would reduce the size of the pupils, relieving these symptoms. The most common concentration for this use is pilocarpine 1%, the weakest concentration.Pilocarpine is also used to treat dry mouth (xerostomia) which can occur, for example, as a side effect of radiation therapy for head and neck cancers. Pilocarpine stimulates the secretion of large amounts of saliva and sweat. Pilocarpine is used to stimulate sweat glands in a sweat test to measure the concentration of chloride and sodium that is excreted in sweat. It is used to diagnose cystic fibrosis (CF).
When you are using this chemical, please be cautious about it as the following:
This chemical that at very low levels may cause damage to health. It is very toxic by inhalation and if swallowed. You must avoid contact with eyes. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1C(COC1=O)CC2=CN=CN2C
(2)Isomeric SMILES: CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C
(3)InChI: InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
(4)InChIKey: QCHFTSOMWOSFHM-WPRPVWTQSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | LDLo | subcutaneous | 143ug/kg (0.143mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: CYANOSIS VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION | Confinia Neurologica. Vol. 10, Pg. 8, 1949. |
man | LDLo | unreported | 1912ug/kg (1.912mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
mouse | LD50 | intraperitoneal | 220mg/kg (220mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 192, Pg. 88, 1971. | |
mouse | LD50 | intravenous | 61900ug/kg (61.9mg/kg) | Drugs in Japan Vol. 6, Pg. APP-16, 1982. | |
mouse | LD50 | oral | 119mg/kg (119mg/kg) | Drugs in Japan Vol. 6, Pg. APP-16, 1982. | |
mouse | LD50 | subcutaneous | 90900ug/kg (90.9mg/kg) | Drugs in Japan Vol. 6, Pg. APP-16, 1982. | |
rabbit | LDLo | intravenous | 120mg/kg (120mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1386, 1935. | |
rat | LD50 | intraperitoneal | 166mg/kg (166mg/kg) | Drugs in Japan Vol. 6, Pg. APP-16, 1982. | |
rat | LD50 | intravenous | 88500ug/kg (88.5mg/kg) | Drugs in Japan Vol. 6, Pg. APP-16, 1982. | |
rat | LD50 | oral | 402mg/kg (402mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 1204, 1981. | |
rat | LD50 | subcutaneous | 366mg/kg (366mg/kg) | Drugs in Japan Vol. 6, Pg. APP-16, 1982. | |
women | TDLo | subcutaneous | 1143ug/kg (1.143mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS SKIN AND APPENDAGES (SKIN): SWEATING: OTHER | Archives of Ophthalmology Vol. 105, Pg |