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Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[[4-[2-methoxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-2-methyl-,(1R)- (2202-17-7)

Identification
Name:Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[[4-[2-methoxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-2-methyl-,(1R)-
Synonyms:Dauricine,O-methyl- (6CI,7CI,8CI);Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[[4-[2-methoxy-5-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-2-methyl-,[R-(R*,R*)]-;(-)-O-Methyldauricine;O,O-Dimethylcuspidaline;O,O-Dimethyldauricinoline;O-Methyldauricine;
CAS:2202-17-7
Molecular Formula: C39H46N2O6
Molecular Weight: 0
InChI: InChI=1/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1
Molecular Structure: (C39H46N2O6) Dauricine,O-methyl- (6CI,7CI,8CI);Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[[4-[2-methoxy-5-[...
Properties
Flash Point: 173.2°C
Boiling Point: 717.6°Cat760mmHg
Density:1.156g/cm3
Refractive index:1.585
Specification:

The O-Methyldauricine with the cas number 2202-17-7 is also called Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[[4-[2-methoxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-2-methyl-,(1R)-. Its molecular formula is C39H46N2O6. The product category is Alkaloids.

The properties of the chemical are: (1)ACD/LogP: 6.26; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 5.12; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 2464.69; (7)ACD/KOC (pH 5.5): 6.53; (8)ACD/KOC (pH 7.4): 4426.09; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 61.86 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 185.31 cm3; (15)Molar Volume: 552.4 cm3; (16)Polarizability: 73.46×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Enthalpy of Vaporization: 104.87 kJ/mol; (19)Vapour Pressure: 1.91×10-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc2c(cc1OC)[C@H](N(C)CC2)Cc6ccc(Oc3c(OC)ccc(c3)C[C@@H]5c4c(cc(OC)c(OC)c4)CCN5C)cc6)C
(2)InChI: InChI=1/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1
(3)InChIKey: UHYCXSGUNAWVBW-CZNDPXEEBS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 125mg/kg (125mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 2413, 1976.
 

Flash Point: 173.2°C
Safety Data
 

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