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| CAS No.: | 145525-41-3 |
|---|---|
| Name: | Mitiglinide calcium |
| Molecular Structure: | |
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| Formula: | (C19H24NO3)2.Ca |
| Molecular Weight: | 668.88 |
| Synonyms: | 2H-Isoindole-2-butanoicacid, octahydro-g-oxo-a-(phenylmethyl)-, calcium salt, (aS,3aR,7aS)- (9CI);(S)-2-Benzyl-4-oxo-4-(cis-perhydroisoindol-2-yl)butyric acid calcium salt;Glufast;KAD 1229;S 21403;Mitiglinide calcium anhydrous; |
| EINECS: | 692-046-9 |
| Density: | 1.175 g/cm3 |
| Melting Point: | 146-148 °C |
| Boiling Point: | 519.6 °C at 760 mmHg |
| Flash Point: | 268 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 36 |
| PSA: | 102.45000 |
| LogP: | 5.59450 |
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Standards and Recommendations
Specification
The IUPAC name of Mitiglinide Calcium is calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate. With the CAS registry number 145525-41-3, it is also named as 2-Benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate. The product's categories are Pharmaceutical Material and Intermeidates; API. It is white to off-white crystalline powder.
The other characteristics of Mitiglinide Calcium can be summarized as: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 136.19; (6)ACD/BCF (pH 7.4): 2.23; (7)ACD/KOC (pH 5.5): 524.45; (8)ACD/KOC (pH 7.4): 8.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 268 °C; (13)Enthalpy of Vaporization: 83.42 kJ/mol; (14)Boiling Point: 519.6 °C at 760 mmHg; (15)Vapour Pressure: 1.27E-11 mmHg at 25°C; (16)Rotatable Bond Count: 8; (17)Exact Mass: 668.313828; (18)MonoIsotopic Mass: 668.313828; (19)Topological Polar Surface Area: 121; (20)Heavy Atom Count: 47; (21)Complexity: 411; (22)Defined Atom StereoCenter Count: 6.
Uses of Mitiglinide Calcium: It is a drug belongs to a family of meglitinide to treat diabetes type 2 by blocking the potassium channels in beta cells. It is a rapid and short-acting hypoglycemic agent which stimulate the pancreas to produce more insulin by closing the ATP-sensitive K(+) (K(ATP)) channels in pancreatic beta-cells.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:[Ca+2].[O-]C(=O)[C@@H](Cc1ccccc1)CC(=O)N3C[C@@H]2CCCC[C@@H]2C3.[O-]C(=O)[C@@H](Cc1ccccc1)CC(=O)N3C[C@@H]2CCCC[C@@H]2C3
2. InChI:InChI=1/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1