Products Categories
| CAS No.: | 85187-37-7 |
|---|---|
| Name: | o-[(2'-hydroxy[1,1'-biphenyl]-4-yl)carbonyl]benzoic acid, compound with 1-[2-(4-chlorobenzhydryloxy)ethyl]piperidine (1:1) |
| Molecular Structure: | |
|
|
|
| Formula: | C40H38ClNO5 |
| Molecular Weight: | 648.1864 |
| Synonyms: | Cloperastine fendizoate (JAN);Cloperastine fendizoate;1-[2-[(4-chlorophenyl)-phenyl-methoxy]ethyl]piperidine; 2-(4-hydroxy-3-phenyl-benzoyl)benzoic acid;o-((2-Hydroxy(1,1-biphenyl)-4-yl)carbonyl)benzoic acid, compoundwith 1-(2-(4-chlorobenzhydryloxy)ethyl)piperidine (1:1);Hustazol (TN);Benzoic acid, 2-((6-hydroxy(1,1-biphenyl)-3-yl)carbonyl)-, compd. with 1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1); |
| EINECS: | 286-126-9 |
| Boiling Point: | 593.9 °C at 760 mmHg |
| Flash Point: | 327 °C |
| PSA: | 87.07000 |
| LogP: | 8.85820 |
- 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
What can I do for you?
Get Best Price
Specification
The Cloperastine fendizoate is an organic compound with the formula C40H38ClNO5. The IUPAC name of this chemical is 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic acid. With the CAS registry number 85187-37-7, it is also named as Benzoic acid, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)-, compd. with 1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1). The classification code is Drug / Therapeutic Agent.
The other characteristics of Cloperastine fendizoate can be summarized as: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 2.3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.61; (8)ACD/KOC (pH 7.4): 1.55; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 327 °C; (13)Enthalpy of Vaporization: 93.11 kJ/mol; (14)Boiling Point: 593.9 °C at 760 mmHg; (15)Vapour Pressure: 5.95E-15 mmHg at 25°C; (16)Rotatable Bond Count: 10; (17)Tautomer Count: 5; (18)Exact Mass: 647.243851; (19)MonoIsotopic Mass: 647.243851; (20)Topological Polar Surface Area: 87.1; (21)Heavy Atom Count: 47; (22)Complexity: 772.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1ccccc1C(=O)c3ccc(O)c(c2ccccc2)c3.Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3
2. InChI:InChI=1/C20H24ClNO.C20H14O4/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24)
3. InChIKey:PXZFKAKWSHBDCP-UHFFFAOYAZ
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2288mg/kg (2288mg/kg) | Drugs in Japan Vol. -, Pg. 359, 1990. | |
| mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | Drugs in Japan Vol. -, Pg. 359, 1990. | |
| rat | LD50 | intraperitoneal | 3701mg/kg (3701mg/kg) | Drugs in Japan Vol. -, Pg. 359, 1990. | |
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | Drugs in Japan Vol. -, Pg. 359, 1990. |