Basic information
- Name:
Methanone,(1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-
- Superlist Name:
- Ramosetron
- CAS No.:
132036-88-5
- Molecular Structure:
![Molecular Structure of 132036-88-5 (Methanone,(1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-)](http://www.lookchem.com/300w/2010/0618/132036-88-5.jpg)
- Formula:
- C17H17N3O
- Molecular Weight:
- 279.34
- Synonyms:
- Methanone,(1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)-, (R)-;Methanone,(1-methyl-1H-indol-3-yl)[(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]- (9CI);(-)-(R)-1-Methylindol-3-yl 4,5,6,7-tetrahydro-5-benzimidazolylketone;Nasea;Nor-YM 060;
- Density:
- 1.338 g/cm3
- Boiling Point:
- 579.693 °C at 760 mmHg
- Flash Point:
- 304.388 °C
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Specification
The Methanone,(1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-, with CAS registry number 132036-88-5, has the systematic name of (1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]methanone. Besides this, it is also called Ramosetron. And the chemical formula of this chemical is C17H17N3O.
Physical properties of Methanone,(1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.56; (7)ACD/KOC (pH 5.5): 3.23; (8)ACD/KOC (pH 7.4): 113.67; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.82 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 81.42 cm3; (15)Molar Volume: 208.8 cm3; (16)Polarizability: 32.27×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 304.4 °C; (20)Enthalpy of Vaporization: 86.73 kJ/mol; (21)Boiling Point: 579.7 °C at 760 mmHg; (22)Vapour Pressure: 1.96E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2c1ccccc1n(c2)C)[C@H]4Cc3ncnc3CC4
(2)InChI: InChI=1/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
(3)InChIKey: NTHPAPBPFQJABD-LLVKDONJBJ
(4)Std. InChI: InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
(5)Std. InChIKey: NTHPAPBPFQJABD-LLVKDONJSA-N