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| CAS No.: | 145375-43-5 |
|---|---|
| Name: | [2(S)-cis]-Octahydro-gamma-oxo-alpha-(phenylmethyl)-2H-isoindole-2-butanoic acid |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C19H25NO3 |
| Molecular Weight: | 315.412 |
| Synonyms: | 2H-Isoindole-2-butanoicacid, octahydro-g-oxo-a-(phenylmethyl)-, [2(S)-cis]-; |
| EINECS: | 1312995-182-4 |
| Density: | 1.175 g/cm3 |
| Boiling Point: | 519.6 °C at 760 mmHg |
| Flash Point: | 268 °C |
| PSA: | 57.61000 |
| LogP: | 2.90650 |
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Specification
The Mitiglinide is an organic compound with the formula C19H25NO3. The IUPAC name of this chemical is 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-benzyl-4-oxobutanoic acid. With the CAS registry number 145375-43-5, it is also named as 2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid. The product's classification code is Hypoglycemic Agents. Besides, it is a drug for the treatment of type 2 diabetes.
Physical properties about Mitiglinide are: (1)ACD/LogP: 4.73; (2)ACD/LogD (pH 5.5): 3.5; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 136.19; (5)ACD/BCF (pH 7.4): 2.23; (6)ACD/KOC (pH 5.5): 524.45; (7)ACD/KOC (pH 7.4): 8.57; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 87.62 cm3; (14)Molar Volume: 268.2 cm3; (15)Polarizability: 34.73×10-24cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.175 g/cm3; (18)Flash Point: 268 °C; (19)Enthalpy of Vaporization: 83.42 kJ/mol; (20)Boiling Point: 519.6 °C at 760 mmHg; (21)Vapour Pressure: 1.27E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](Cc1ccccc1)CC(=O)N3C[C@H]2CCCC[C@H]2C3
(2)InChI: InChI=1/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1
(3)InChIKey: WPGGHFDDFPHPOB-BBWFWOEEBF
(4)Std. InChI: InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1
(5)Std. InChIKey: WPGGHFDDFPHPOB-BBWFWOEESA-N