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84225-95-6

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Basic Information
CAS No.: 84225-95-6
Name: S(-)-RACLOPRIDE L-TARTRATE
Article Data: 7
Molecular Structure:
Molecular Structure of 84225-95-6 (S(-)-RACLOPRIDE L-TARTRATE)
Formula: C15H20Cl2N2O3
Molecular Weight: 347.241
Synonyms: (-)-(S)-3,5-Dichlor-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-o-anisamid;Benzamide, 3,5-dichloro-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (-)-;Raclopridum;FLA 870;UNII-430K3SOZ7G;(S)-3,5-Dichloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydroxy-6-methoxybenzamide;
Density: 1.288 g/cm3
Melting Point: 52.0 to 56.0 °C
Boiling Point: 420.3 °C at 760 mmHg
Flash Point: 208 °C
Solubility: Water: 89 mg/mL
Safety: 22-24/25
PSA: 61.80000
LogP: 3.25050
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Specification

The Benzamide,3,5-dichloro-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxy- with CAS registry number of 84225-95-6 is also known as (-)-(S)-3,5-Dichlor-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-o-anisamid. The systematic name is 3,5-Dichloro-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2-hydroxy-6-methoxybenzamide. In addition, the formula is C15H20Cl2N2O3 and the molecular weight is 347.24.

Physical properties about Benzamide,3,5-dichloro-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxy- are: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 1.01; (5)ACD/BCF (pH 7.4): 2.1; (6)ACD/KOC (pH 5.5): 5.69; (7)ACD/KOC (pH 7.4): 11.82; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 87.57 cm3; (13)Molar Volume: 269.4 cm3; (14)Surface Tension: 45.6 dyne/cm; (15)Density: 1.288 g/cm3; (16)Flash Point: 208 °C; (17)Enthalpy of Vaporization: 70.02 kJ/mol; (18)Boiling Point: 420.3 °C at 760 mmHg; (19)Vapour Pressure: 1.17E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Clc1c(O)c(c(OC)c(Cl)c1)C(=O)NC[C@H]2N(CC)CCC2
2. InChI: InChI=1/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
3. InChIKey: WAOQONBSWFLFPE-VIFPVBQEBP
4. Std. InChI: InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
5. Std. InChIKey: WAOQONBSWFLFPE-VIFPVBQESA-N