Basic information
- Name:
(1-(2-Morpholin-4-yl-ethyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
- CAS No.:
895155-26-7
- Molecular Structure:
- Formula:
- C22H30N2O2
- Molecular Weight:
- 354.49
- Synonyms:
- A-796,260;{1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone;Methanone, [1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-;
- Density:
- 1.161 g/cm3
- Boiling Point:
- 492.682 °C at 760 mmHg
- Flash Point:
- 251.765 °C
- Appearance:
- almost white powder
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Specification
The (1-(2-Morpholin-4-yl-ethyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone, with the CAS registry number 895155-26-7, is also known as Methanone, [1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-. It belongs to the product category of Research Chemical. This chemical's molecular formula is C22H30N2O2 and molecular weight is 354.49. What's more, its systematic name is {1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone. This chemical is a drug developed by Abbott Laboratories that acts as a potent and selective cannabinoid CB2 receptor agonist. It has potent analgesic and anti-inflammatory actions in animal models, being especially effective in models of neuropathic pain, but without producing cannabis-like behavioral effects.
Physical properties of (1-(2-Morpholin-4-yl-ethyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone are: (1)ACD/LogP: 4.891; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 83.01; (6)ACD/BCF (pH 7.4): 2095.01; (7)ACD/KOC (pH 5.5): 294.84; (8)ACD/KOC (pH 7.4): 7441.09; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.47 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 104.219 cm3; (15)Molar Volume: 305.205 cm3; (16)Polarizability: 41.315×10-24cm3; (17)Surface Tension: 42.08 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 251.765 °C; (20)Enthalpy of Vaporization: 75.966 kJ/mol; (21)Boiling Point: 492.682 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c3ccccc3n(c1)CCN2CCOCC2)C4C(C)(C)C4(C)C
(2)Std. InChI: InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
(3)Std. InChIKey: ZCFHOMLAFTWDFM-UHFFFAOYSA-N
