Atracurium oxalate

Atracurium oxalate

Atracurium oxalate

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Keywords

oxalic acid oxalic acid oxalic acid

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  • Application:Molecule structure of Atracurium oxalate (CAS NO.64228-78-0): IUPAC Name: 5-[3-[1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethox
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  • Transportation:Molecule structure of Atracurium oxalate (CAS NO.64228-78-0): IUPAC Name: 5-[3-[1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethox

Superiority:

Molecule structure of Atracurium oxalate (CAS NO.64228-78-0):

IUPAC Name: 5-[3-[1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate; oxalic acid 
Molecular Weight: 1079.1457 g/mol 
Molecular Formula: C51H66N2O12.2(C2H2O4
Flash Point: 508.3 °C 
Enthalpy of Vaporization: 133.39 kJ/mol 
Boiling Point: 916.8 °C at 760 mmHg 
Vapour Pressure: 1.44E-34 mmHg at 25 °C 
H-Bond Donor: 4 
H-Bond Acceptor: 22 
Rotatable Bond Count: 28 
Exact Mass: 1078.452193 
MonoIsotopic Mass: 1078.452193 
Topological Polar Surface Area: 282 
Heavy Atom Count: 77 
Canonical SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CN4CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
InChI: InChI=1S/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6) 

Details:

Molecule structure of Atracurium oxalate (CAS NO.64228-78-0):

IUPAC Name: 5-[3-[1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate; oxalic acid 
Molecular Weight: 1079.1457 g/mol 
Molecular Formula: C51H66N2O12.2(C2H2O4
Flash Point: 508.3 °C 
Enthalpy of Vaporization: 133.39 kJ/mol 
Boiling Point: 916.8 °C at 760 mmHg 
Vapour Pressure: 1.44E-34 mmHg at 25 °C 
H-Bond Donor: 4 
H-Bond Acceptor: 22 
Rotatable Bond Count: 28 
Exact Mass: 1078.452193 
MonoIsotopic Mass: 1078.452193 
Topological Polar Surface Area: 282 
Heavy Atom Count: 77 
Canonical SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CN4CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
InChI: InChI=1S/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6) 

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