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Tetrahydrozoline hydrochloride

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Name

Tetrahydrozoline hydrochloride

EINECS 208-329-3
CAS No. 522-48-5 Density N/A
PSA 24.39000 LogP 2.67460
Solubility N/A Melting Point 197 °C
Formula C13H16N2.HCl Boiling Point 393.5 °C at 760 mmHg
Molecular Weight 236.744 Flash Point 191.8 °C
Transport Information N/A Appearance off-white solid
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 522-48-5 (2-Tetralin-1-yl-4,5-dihydro-1H-imidazole hydrochloride) Hazard Symbols IrritantXi,HarmfulXn
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);

Article Data 4

Tetrahydrozoline hydrochloride Consensus Reports

Reported in EPA TSCA Inventory.

Tetrahydrozoline hydrochloride 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:IrritantXi;HarmfulXn
Risk 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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