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2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (1:2) | CAS No. 64228-78-0

2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (1:2)

Basic Information

Chemical_Structure_Of
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CAS Number

64228-78-0

Molecular Formula

C55H70N2O20

Molecular Weight

1079.1 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=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

LogP

6.087500000000006

Topological Polar Surface Area

282.12 Ų

Hydrogen Bond Donor/Acceptor

4 / 22

Complexity

1370

Synonyms & References

English

  • Atracurium dioxalate
  • EINECS 264-741-3
  • 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
  • AKOS015951366
  • BCP22907
  • FT-0655115
  • AS-75189
  • Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] dioxalate
  • B0371-336184
  • Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dioxalate
  • pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate;Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] dioxalate
  • 64228-78-0
  • pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate
  • CisAtracurium Oxalate
  • AC-24188
  • DTXSID30867062
  • FT-0694090
  • 5-[(3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}propanoyl)oxy]pentyl 3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}propanoate; bis(oxalic acid)
  • Atracuriumdioxalate
  • Pentane-1,5-diyl bis(3-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate
  • cis-Atracurium oxalate pound>>Atracurium Besylate EP impurity B;(R,R)-N,N inverted exclamation mark -Didemethyl Atracurium Oxalate;Atracurium dioxalate
  • Atracurium oxalate
  • 1R,1R'-2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl) methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] dioxalate
  • R-atracurium dioxalate

MDL Number

MFCD11618009

Customs Code

2933499090

FAQ

What is 2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (CAS: 64228-78-0)?
2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate is a complex organic compound with the CAS number 64228-78-0. It is a derivative of isoquinoline and has dihydro and dimethoxy functionalities. This compound is typically used in pharmaceutical and chemical research due to its unique structural features.

What are the main uses of 2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (CAS: 64228-78-0)?
2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate is primarily used in pharmaceutical research for its potential bioactivity and in chemical synthesis as a versatile building block. It is also utilized in research applications requiring specific functional groups or structures.

Is 2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (CAS: 64228-78-0) safe?
The safety of 2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (CAS: 64228-78-0) depends on the conditions of use. It is important to follow proper handling procedures and wear appropriate personal protective equipment (PPE) to minimize exposure. Storage and use in a well-ventilated area is recommended.

How should 2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (CAS: 64228-78-0) be stored?
2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (CAS: 64228-78-0) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture and light exposure. Ensure good ventilation during storage and use to avoid inhalation or skin contact risks.

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