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| CAS No.: | 522-48-5 |
|---|---|
| Name: | 2-Tetralin-1-yl-4,5-dihydro-1H-imidazole hydrochloride |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H16N2.HCl |
| Molecular Weight: | 236.744 |
| Synonyms: | 1H-Imidazole,4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, monohydrochloride (9CI);2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline hydrochloride;Murine Plus;Tinarhinin;Tyzanol hydrochloride;Tyzine hydrochloride;Visine hydrochloride;1H-Imidazole,4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, hydrochloride (1:1); |
| EINECS: | 208-329-3 |
| Melting Point: | 197 °C |
| Boiling Point: | 393.5 °C at 760 mmHg |
| Flash Point: | 191.8 °C |
| Appearance: | off-white solid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 24.39000 |
| LogP: | 2.67460 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
1. Introduction of Tetrahydrozoline hydrochloride
Tetrahydrozoline hydrochloride is the active ingredient in some brands of over-the-counter eye drops and nasal drops and sprays. It belongs to the product categories of Adrenergics; Agonists; Neurotransmitters; Intermediates & Fine Chemicals; Pharmaceuticals. What's more, both its IUPAC name and systematic name are the same which is called 2-(1,2,3,4-Tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride. Tetrahydrozoline hydrochloride is used as an alpha agonist and can be used in over-the-counter eye drops, this compound relieves the redness left by ocular irritants.
2. Properties of Tetrahydrozoline hydrochloride
(1)ACD/LogP: 3.313; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 1.94; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 15.14; (8)ACD/KOC (pH 7.4): 16.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å2; (13)Flash Point: 191.8 °C; (14)Enthalpy of Vaporization: 61.83 kJ/mol; (15)Boiling Point: 393.5 °C at 760 mmHg; (16)Vapour Pressure: 4.8E-06 mmHg at 25 °C
3. Structure Descriptors of Tetrahydrozoline hydrochloride
(1) SMILES: Cl.N\1=C(\NCC/1)C3c2ccccc2CCC3
(2) InChI: InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H
(3) InChIKey: BJORNXNYWNIWEY-UHFFFAOYSA-N
4. Toxicity of Tetrahydrozoline hydrochloride
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - domestic | LD50 | intramuscular | 150mg/kg (150mg/kg) | Compilation of LD50 Values of New Drugs. | |
| child | TDLo | oral | 175mg/kg (175mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION ENDOCRINE: HYPOGLYCEMIA | Clinical Pediatrics Vol. 35, Pg. 539, 1996. |
| infant | TDLo | unreported | 80mg/kg (80mg/kg) | BEHAVIORAL: SLEEP LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Spokane County Medical Society Bulletin. Vol. 29, Pg. 17, 1955. |
| mouse | LD50 | intraperitoneal | 110mg/kg (110mg/kg) | Compilation of LD50 Values of New Drugs. | |
| mouse | LD50 | intravenous | 39mg/kg (39mg/kg) | "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 113, 1969. | |
| mouse | LD50 | oral | 345mg/kg (345mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Drugs in Japan Vol. 6, Pg. 495, 1982. |
| mouse | LD50 | subcutaneous | 245mg/kg (245mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Drugs in Japan Vol. 6, Pg. 495, 1982. |
| rat | LD50 | intraperitoneal | 122mg/kg (122mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Drugs in Japan Vol. 6, Pg. 495, 1982. |
| rat | LD50 | intravenous | 35mg/kg (35mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Drugs in Japan Vol. 6, Pg. 495, 1982. |
| rat | LD50 | oral | 785mg/kg (785mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Drugs in Japan Vol. 6, Pg. 495, 1982. |
| rat | LD50 | subcutaneous | 500mg/kg (500mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Drugs in Japan Vol. 6, Pg. 495, 1982. |
5. Safety Information of Tetrahydrozoline hydrochloride
Hazard Symbols:
Xi;
XnRisk Codes:
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
6. Use of Tetrahydrozoline hydrochloride
Tetrahydrozoline hydrochloride is a vasoconstrictor, meaning it shrinks blood vessels. This makes it useful as a topical treatment for relieving nasal congestion and eye redness, itching and minor irritation. As a nasal congestion therapy, some products with tetrahydrozoline hydrochloride may also contain zinc sulfate, which has an astringent effect -- it constricts body tissue.
7. Other details of Tetrahydrozoline hydrochloride
When you are dealing with Tetrahydrozoline hydrochloride, you should be very careful. This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
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