Basic information
- Name:
Benzenesulfonamide,N-[(cyclohexylamino)carbonyl]-4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]-
- Superlist Name:
- Gliquidone
- CAS No.:
33342-05-1
- Molecular Structure:
![Molecular Structure of 33342-05-1 (Benzenesulfonamide,N-[(cyclohexylamino)carbonyl]-4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]-)](http://www.lookchem.com/300w/2010/0620/33342-05-1.jpg)
- Formula:
- C27H33N3O6S
- Molecular Weight:
- 527.69
- Synonyms:
- AR-DF 26;ARDF 26SE;Beglynor;Glurenorm;
- EINECS:
- 251-463-2
- Density:
- 1.34 g/cm3
- Melting Point:
- 179 °C
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Specification
The Gliquidone, with the CAS registry number 33342-05-1 and EINECS registry number 251-463-2, has the IUPAC name of 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea. It belongs to the product categories of Active Pharmaceutical Ingredients and API. And the molecular formula of the chemical is C27H33N3O6S. What's more, it is an anti-diabetic drug in the sulfonylurea class, and always used in the treatment of diabetes mellitus type 2.
The physical properties of Gliquidone are as followings: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 9.23; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 79.48; (8)ACD/KOC (pH 7.4): 12.62; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 112.68 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 138.9 cm3; (15)Molar Volume: 393.2 cm3; (16)Polarizability: 55.06×10-24cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.34 g/cm3.
Uses of Gliquidone: It can react with acetic acid anhydride to produce N-{4-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isochinolyl)ethyl]benzolsulfonyl}acetamid. This reaction will need reagent pyridine. The reaction time is 15 minutes, and the yield is about 71%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCN4C(=O)c3c(ccc(OC)c3)C(C4=O)(C)C
(2)InChI: InChI=1/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)
(3)InChIKey: LLJFMFZYVVLQKT-UHFFFAOYAT

