Products Categories
| CAS No.: | 15686-51-8 |
|---|---|
| Name: | CLEMASTINE FUMARATE |
| Molecular Structure: | |
|
|
|
| Formula: | C21H26ClNO |
| Molecular Weight: | 343.897 |
| Synonyms: | Pyrrolidine,2-[2-[(p-chloro-a-methyl-a-phenylbenzyl)oxy]ethyl]-1-methyl-,(+)- (8CI);Pyrrolidine,2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, [R-(R*,R*)]-;(+)-Clemastine;Clemastine;Meclastine; |
| EINECS: | 239-055-2 |
| Density: | 1.097 g/cm3 |
| Boiling Point: | 425.2 °C at 760mmHg |
| Flash Point: | 211 °C |
| PSA: | 12.47000 |
| LogP: | 5.04230 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
What can I do for you?
Get Best Price
Specification
The IUPAC name of Clemastine is (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine. With the CAS registry number 15686-51-8, it is also named as Pyrrolidine, 2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methyl-, (R-(R*,R*))-. The product's category is Active Pharmaceutical Ingredients. It is an antihistamine and anticholinergic.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 10.07; (6)ACD/BCF (pH 7.4): 28.05; (7)ACD/KOC (pH 5.5): 24.07; (8)ACD/KOC (pH 7.4): 67.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 100.41 cm3; (14)Molar Volume: 313.3 cm3; (15)Polarizability: 39.8×10-24 cm3; (16)Surface Tension: 39.7 dyne/cm; (17)Enthalpy of Vaporization: 67.99 kJ/mol; (18)Vapour Pressure: 1.94E-07 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 343.170292; (21)MonoIsotopic Mass: 343.170292; (22)Topological Polar Surface Area: 12.5; (23)Heavy Atom Count: 24; (24)Complexity: 376; (25)Defined Atom StereoCenter Count: 2.
Uses of Clemastine: It is a histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness. And it is a sedating antihistamine, however it exhibits fewer side effects than most of the widely used antihistamines.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ccc(cc1)[C@](OCC[C@@H]2N(C)CCC2)(c3ccccc3)C
2. InChI:InChI=1/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1