Isoliensinine supplier | CasNO.6817-41-0

Name
Isoliensinine
EINECS
CAS No. 6817-41-0
Density 1.218 g/cm³
Solubility
Melting Point 69-71℃
Formula C₃₇H₄₂N₂O₆
Boiling Point 723.1 °C at 760 mmHg
Molecular Weight 610.75
Flash Point 391.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoliensinin;7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-((1,2,3,4-tetrahydro-6-methoxy-1-((4-methoxyphenyl)methyl)-2-methyl-7-isoquinolinyl)oxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-;7-Isoquinolinol,1,2,3,4-tetrahydro-1-[[4- hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6- methoxy-1-[(4-methoxyphenyl)methyl]-2- methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6- methoxy-2-methyl-,(1R)-;(1R)-1-[[4-hydroxy-3-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;
PSA 83.86000
LogP 6.33510

Isoliensinine Specification

The Isoliensinine, with the CAS registry number 6817-41-0, is also known as 7-Isoquinolinol,1,2,3,4-tetrahydro-1-[[4- hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6- methoxy-1-[(4-methoxyphenyl)methyl]-2- methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6- methoxy-2-methyl-,(1R)-. This chemical's molecular formula is C₃₇H₄₂N₂O₆ and formula weight is 610.74. What's more, its IUPAC name is (1R)-1-[[4-hydroxy-3-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Physical properties of Isoliensinine are: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 61.86 Å²; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 175.72 cm³; (9)Molar Volume: 501.2 cm³; (10)Surface Tension: 50.2 dyne/cm; (11)Density: 1.218 g/cm³; (12)Flash Point: 391.1 °C; (13)Enthalpy of Vaporization: 109.36 kJ/mol; (14)Boiling Point: 723.1 °C at 760 mmHg; (15)Vapour Pressure: 1.32E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)OC
(2)Isomeric SMILES: CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)OC
(3)InChI: InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(44-5)37(22-29(26)30(38)16-23-6-9-27(42-3)10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(43-4)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-, 31-/m1/s1
(4)InChIKey: AJPXZTKPPINUKN-FIRIVFDPSA-N

Product Name

Isoliensinine

Isoliensinine Specification

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