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| CAS No.: | 131543-23-2 |
|---|---|
| Name: | WIN 55,212-2 MESYLATE |
| Molecular Structure: | |
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| Formula: | C28H30N2O6S |
| Molecular Weight: | 522.61 |
| Synonyms: | (R)-(+)-[2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone mesylate;WIN 55,212-2;212-2Mesylate;Win55212-2; |
| EINECS: | 1592732-453-0 |
| Boiling Point: | 627.7 °C at 760 mmHg |
| Flash Point: | 333.4 °C |
| Solubility: | 0.1 M HCl: 0.25 mg/mL |
| Appearance: | white to off-white solid |
| PSA: | 106.45000 |
| LogP: | 5.12230 |
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Specification
The WIN 55212-2 mesylate with its cas register number is 131543-23-2. It also can be called as (R)-(+)-[2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone mesylate and the Systematic name about this chemical is [(3R)-5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl](naphthalen-1-yl)methanone methanesulfonate. It belongs to the Cannabinoid receptor and Cannabinoid.
Physical properties about WIN 55212-2 mesylate are: (1)ACD/LogP: 4.28; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 4.17; (4)ACD/BCF (pH 5.5): 43.96; (5)ACD/BCF (pH 7.4): 814.33; (6)ACD/KOC (pH 5.5): 211.59; (7)ACD/KOC (pH 7.4): 3919.89; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.7Å2; (11)Enthalpy of Vaporization: 92.89 kJ/mol; (12)Vapour Pressure: 1.14E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.O=C(c2c1ccccc1ccc2)c5c4cccc3OC[C@H](n(c34)c5C)CN6CCOCC6
(2)InChI: InChI=1/C27H26N2O3.CH4O3S/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28;1-5(2,3)4/h2-11,20H,12-17H2,1H3;1H3,(H,2,3,4)/t20-;/m1./s1
(3)InChIKey: FSGCSTPOPBJYSX-VEIFNGETBH
(4)Std. InChI: InChI=1S/C27H26N2O3.CH4O3S/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28;1-5(2,3)4/h2-11,20H,12-17H2,1H3;1H3,(H,2,3,4)/t20-;/m1./s1
(5)Std. InChIKey: FSGCSTPOPBJYSX-VEIFNGETSA-N