CAS No.64228-78-0,pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64228-78-0
Name:	pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate
Article Data:	4

Formula:	C₅₁H₆₆N₂O₁₂^.2(C₂H₂O₄)
Molecular Weight:	1079.16
Synonyms:	Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dioxalate;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;
EINECS:	264-741-3
Boiling Point:	916.8 °C at 760 mmHg
Flash Point:	508.3 °C
PSA:	206.70000
LogP:	4.46930

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Chemistry

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)
InChIKey: NGJVDNJEQWIMBU-UHFFFAOYSA-N
EINECS of Atracurium oxalate (CAS NO.64228-78-0): 264-741-3

Specification

Atracurium oxalate (CAS NO.64228-78-0) is also named as Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dioxalate .