Pilocarpine nitrate

Reported in EPA TSCA Inventory.

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: