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| CAS No.: | 148-72-1 |
|---|---|
| Name: | Pilocarpine nitrate |
| Molecular Structure: | |
|
|
|
| Formula: | C11H16N2O2.HNO3 |
| Molecular Weight: | 271.273 |
| Synonyms: | (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; nitric acid;Pilagan;Pilofrin;Prestwick_282;Pilocarpine mononitrate;2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-, mononitrate;2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S,4R)-, mononitrate;Pilocarpine nitrate; |
| EINECS: | 205-723-7 |
| Melting Point: | 173,5-174°C |
| Boiling Point: | 520.5 °C at 760 mmHg |
| Flash Point: | 268.6 °C |
| Solubility: | Soluble in water, slightly soluble in ethanol |
| Hazard Symbols: |
 Xn, T+
|
| Risk Codes: | 22-26/28 |
| Safety: | 1-25-45 |
| Transport Information: | UN 3087 |
| PSA: | 110.17000 |
| LogP: | 1.33730 |
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- 148-72-1
pilocarpine nitrate
| Conditions | Yield |
|---|---|
| Stage #1: (R)-3-ethylidene-4-[(1-methylimidazol-5-yl)methyl]tetrahydrofuran-2-one With platinum(IV) oxide; hydrogen In methanol at 20℃; for 24h; Stage #2: With nitric acid In ethanol; water at 0℃; Cooling; |
- 148-72-1
pilocarpine nitrate
| Conditions | Yield |
|---|---|
| at 0 - 5℃; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Pilocarpine nitrate, with the CAS registry number 148-72-1, is also known as 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-, mononitrate. It belongs to the product categories of Alkaloids; Alkaloids (Others); Biochemistry; AgonistsDrugs of Abuse; Chemical Structure; Cholinergics; Neurotransmitters; Others. Its EINECS number is 205-723-7. This chemical's molecular formula is C11H16N2O2.HNO3 and molecular weight is 271.27. What's more, its systematic name is (3S,4R)-3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone nitrate (1:1). Its classification codes are: (1)Cholinergic [ophthalmic]; (2)Mutation data; (3)Reproductive Effect. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. It is cholinergic drugs and it is used to cure glaucoma.
Physical properties of Pilocarpine nitrate are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1.00; (3)ACD/BCF (pH 7.4): 1.00; (4)ACD/KOC (pH 5.5): 1.00; (5)ACD/KOC (pH 7.4): 12.76; (6)#H bond acceptors: 8; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 99.17 Å2; (10)Flash Point: 268.6 °C; (11)Enthalpy of Vaporization: 83.54 kJ/mol; (12)Boiling Point: 520.5 °C at 760 mmHg; (13)Vapour Pressure: 1.16E-11 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is very toxic by inhalation and if swallowed. You should keep it locked up. When using it, you must avoid contact with eyes. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)O.O=C2OC[C@H](Cc1n(cnc1)C)[C@@H]2CC
(2)Std. InChI: InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1
(3)Std. InChIKey: PRZXEPJJHQYOGF-GNAZCLTHSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 345mg/kg (345mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 41, Pg. 259, 1931. | |
| rat | LD50 | oral | 911mg/kg (911mg/kg) | KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FLUID INTAKE | Pharmacologist. Vol. 4, Pg. 176, 1962. |