Specification: |
The IUPAC name of Naphazoline nitrate is 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; nitric acid. With the CAS registry number 5144-52-5, it is also named as Imidazyl. The classification code is Drug / Therapeutic Agent. It is white solid which is stable under stable temperature and pressure. It is adrenomimetic drug which has pressor function, so it can used in the common cold, rhinitis, nasal congestion, etc. When heated to decomposition it emits toxic fumes of NOx. Additionally, Naphazoline nitrate must be sealed in the container and placed in the cool and dry aera.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 5.25; (6)ACD/BCF (pH 7.4): 5.94; (7)ACD/KOC (pH 5.5): 30.82; (8)ACD/KOC (pH 7.4): 34.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 220.2 °C; (13)Enthalpy of Vaporization: 67.07 kJ/mol; (14)Boiling Point: 440.5 °C at 760 mmHg; (15)Vapour Pressure: 1.52E-07 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 273.111341; (18)MonoIsotopic Mass: 273.111341; (19)Topological Polar Surface Area: 90.4; (20)Heavy Atom Count: 20; (21)Complexity: 297.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed, so people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:[O-][N+](=O)O.N\1=C(\NCC/1)Cc2cccc3c2cccc3
2. InChI:InChI=1/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)
The following are the toxicity data which has been tested.
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
mouse |
LD50 |
intraperitoneal |
66mg/kg (66mg/kg) |
|
Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966. |
mouse |
LD50 |
intravenous |
13200ug/kg (13.2mg/kg) |
|
Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966. |
mouse |
LD50 |
oral |
265mg/kg (265mg/kg) |
|
Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966. |
mouse |
LD50 |
subcutaneous |
170mg/kg (170mg/kg) |
|
Drugs in Japan Vol. 6, Pg. 539, 1982. |
rabbit |
LD50 |
intravenous |
800ug/kg (0.8mg/kg) |
|
Drugs in Japan Vol. 6, Pg. 539, 1982. |
rabbit |
LD50 |
oral |
50mg/kg (50mg/kg) |
|
Drugs in Japan Vol. 6, Pg. 539, 1982. |
rabbit |
LD50 |
subcutaneous |
950ug/kg (0.95mg/kg) |
|
Drugs in Japan Vol. 6, Pg. 539, 1982. |
rat |
LD50 |
oral |
1260mg/kg (1260mg/kg) |
|
Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966. |
rat |
LD50 |
subcutaneous |
385mg/kg (385mg/kg) |
|
Drugs in Japan Vol. 6, Pg. 539, 1982. |
|