Products Categories
| CAS No.: | 83881-52-1 |
|---|---|
| Name: | Cetirizine hydrochloride |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C21H25ClN2O3.2(HCl) |
| Molecular Weight: | 461.816 |
| Synonyms: | Alercet;Alerid;Alerlisin;Cesta;Cetirizinedihydrochloride;Cetirizine hydrochloride;Cetrak;Cetrine;Cetrizet;Epirizine;Formistin;Histazine-1;P 071;Reactine;Riztec;Ryzen;Triz;UCB-P 071;Virlix;Zirtec;Zirtek;Zirtin;Zyrlex;Zyrtec;Zyrzine; |
| EINECS: | 222-225-5 |
| Density: | 1.237 g/cm3 |
| Melting Point: | 110-115 °C |
| Boiling Point: | 542.1 °C at 760 mmHg |
| Flash Point: | 281.6 °C |
| Solubility: | Soluble in water, DMSO, ethanol, and methanol. |
| Appearance: | Crystalline solid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 3249 |
| PSA: | 53.01000 |
| LogP: | 3.82600 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 83881-51-0
cetirizine
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water; acetone at 20 - 50℃; for 2h; | 87.9% |
| With hydrogenchloride In water pH=8; | |
| With hydrogenchloride In ethyl acetate; isopropyl alcohol at 25 - 35℃; for 1 - 2h; pH=2; |
- 109806-71-5
2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol
- 3926-62-3
sodium monochloroacetic acid
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol; sodium monochloroacetic acid With sodium hydroxide In water; dimethyl sulfoxide; toluene at 30 - 35℃; for 14 - 18h; Stage #2: With hydrogenchloride In water; acetone at 20℃; | 87.4% |
- 770697-99-9
C21H25ClN2O2
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: C21H25ClN2O2 With potassium dihydrogenphosphate; phosphoric acid; dihydrogen peroxide In dichloromethane; dimethyl sulfoxide at 5 - 25℃; for 8h; pH=4 - 5; Stage #2: With hydrogenchloride In butanone at 60℃; | 86% |
- 83881-37-2, 163837-41-0, 163837-43-2
2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetamide
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetamide With sodium hydroxide In water Heating / reflux; Stage #2: With hydrogenchloride In ethyl acetate; isopropyl alcohol for 1 - 2h; |
- 83881-51-0
cetirizine hydrochloride
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethyl acetate; isopropyl alcohol at 25 - 35℃; for 1.16667 - 2.25h; pH=2; |
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium hydroxide In dichloromethane; water; acetone | |
| With water; sodium hydroxide for 3h; Reflux; Large scale reaction; |
- 343781-29-3
(RS)-N,N-diethyl-{2-[4-(α-phenyl-p-chloro-benzyl)piperazin-1-yl]ethoxy}-acetamide
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| In 1,4-dioxane |
- 343781-30-6
(RS)-N,N-diallyl-{2-[4-(α-phenyl-p-chloro-benzyl)piperazin-1-yl]ethoxy}-acetamide
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| In 1,4-dioxane |
- 940980-27-8, 940980-28-9, 343781-27-1
(+/-)-{2-[4-(α-phenyl-p-chlorobenzyl)-piperazin-1-yl]-ethoxy}-acetic acid-N,N-dimethylamide
- 83881-52-1
cetirizine dihydrochloride
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; sodium hydroxide; sodium carbonate In N-methyl-acetamide; hydrogenchloride; acetone |
- 7789-75-5Calcium fluoride
- 122536-94-1(S)-3-Hydroxypyrrolidine hydrochloride
- 2530-85-03-Methacryloxypropyltrimethoxysilane
- 24065-33-65-Chlorothiophene-2-carboxylic acid
- 138113-08-37-Methoxy-1-naphthylacetonitrile
- 830-96-63-Indolepropionic acid
- 499-83-22,6-Pyridinedicarboxylic acid
- 41859-67-0Bezafibrate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The Cetirizine hydrochloride is an organic compound with the formula C21H25ClN2O3.2(HCl). The IUPAC name of this chemical is 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride. With the CAS registry number 83881-52-1, it is also named as (+-)-(2-(4-(p-Chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)acetic acid, dihydrochloride. The classification codes are Antihistaminic; Drug / Therapeutic Agent; Reproductive Effect.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 42.01 Å2; (13)Enthalpy of Vaporization: 86.31 kJ/mol; (14)Vapour Pressure: 1.39E-12 mmHg at 25°C; (15)Rotatable Bond Count: 8; (16)Exact Mass: 460.108726; (17)MonoIsotopic Mass: 460.108726; (18)Topological Polar Surface Area: 53; (19)Heavy Atom Count: 29; (20)Complexity: 443.
Uses of Cetirizine hydrochloride: It is a potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.Cl.Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCC(=O)O
2. InChI:InChI=1/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H
3. InChIKey:PGLIUCLTXOYQMV-UHFFFAOYAH
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | > 320mg/kg (320mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 1859, 1994. |
| mouse | LDLo | intraperitoneal | 138mg/kg (138mg/kg) | United States Patent Document. Vol. #4525358, | |
| rat | LD50 | oral | 365mg/kg (365mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 1859, 1994. |