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| CAS No.: | 108929-04-0 |
|---|---|
| Name: | EPINASTINE HYDROCHLORIDE |
| Molecular Structure: | |
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|
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| Formula: | C16H15N3.HCl |
| Molecular Weight: | 285.776 |
| Synonyms: | 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine,9,13b-dihydro-, monohydrochloride (9CI);Alesion;WAL 801CL; |
| EINECS: | 629-843-8 |
| Density: | 1.32g/cm3 |
| Melting Point: | 273-275 °C |
| Boiling Point: | 428 °C at 760 mmHg |
| Flash Point: | 212.7 °C |
| Appearance: | White crystalline solid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25 |
| Safety: | 45 |
| Transport Information: | UN 2811 |
| PSA: | 41.62000 |
| LogP: | 3.46970 |
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Specification
The systematic name of 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine,9,13b-dihydro-, hydrochloride (1:1) is 9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine hydrochloride (1:1). With the CAS registry number 108929-04-0, it is also named as Epinastine hydrochloride. The product's categories are Antihistaminic; Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. It is white crystalline solid which is an antihistaminic.
The other characteristics of 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine,9,13b-dihydro-, hydrochloride (1:1) can be summarized as: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 2.43; (6)ACD/BCF (pH 7.4): 2.63; (7)ACD/KOC (pH 5.5): 17.75; (8)ACD/KOC (pH 7.4): 19.2; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Flash Point: 212.7 °C; (13)Enthalpy of Vaporization: 68.31 kJ/mol; (14)Vapour Pressure: 1.56E-07 mmHg at 25°C; (15)Tautomer Count: 2; (16)Exact Mass: 285.103275; (17)MonoIsotopic Mass: 285.103275; (18)Topological Polar Surface Area: 41.6; (19)Heavy Atom Count: 20; (20)Complexity: 378.
When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.N\4=C(\N3c1c(cccc1)Cc2c(cccc2)C3C/4)N
2. InChI:InChI=1/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H
3. InChIKey:VKXSGUIOOQPGAF-UHFFFAOYAX
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD | oral | > 200mg/kg (200mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: HEMORRHAGE | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 2166, 1994. |
| rat | LD50 | intravenous | 17mg/kg (17mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 42, Pg. 151, 1991. |
| rat | LD50 | oral | 192mg/kg (192mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 42, Pg. 151, 1991. |