(R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate | CAS No. 96687-52-4

(R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate

Basic Information

CAS Number

96687-52-4

Molecular Formula

C55H70N2O20

Molecular Weight

1079.16 g/mol

AD

Basic Physical Properties

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)/t40-,41-;;/m1../s1

InChIKey

NGJVDNJEQWIMBU-DBGKOQSZSA-N

LogP

6.087500000000006

Topological Polar Surface Area

282.12 Ų

Hydrogen Bond Donor/Acceptor

4 / 22

Complexity

1370

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • (1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate
  • (R*,R*)-(-)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoic acid 1,5-pentanediyl ester ethanedioate (1:2)
  • (1R,1’R)-ATRACURIUM DIOXALATE
  • (1R,1'R)-2,2'-(3,11-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline)dioxalate(Cisatracurium oxalate)
  • (1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-diox
  • 5-[3-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propa
  • Cis Atracurium dioxalate
  • CisAtracurium Oxalate
  • 5-[3-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate,oxalic acid
  • R-atracurium dioxalate
  • 2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 1,5-pentanediyl ester, (R*,R*)-(-)-, ethanedioate (1:2) (9CI)
  • pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate)
  • dioxalate (1:2)
  • SCHEMBL8949609
  • Atracurium dioxalate
  • 5-({3-[(1R)-1-[(3,4-DIMETHOXYPHENYL)METHYL]-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]PROPANOYL}OXY)PENTYL 3-[(1R)-1-[(3,4-DIMETHOXYPHENYL)METHYL]-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]PROPANOATE; BIS(OXALIC ACID)
  • 96687-52-4
  • WDA68752
  • Q-101019
  • F15234
  • (R)-Pentane-1,5-diylbis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate)dioxalate
  • (R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate
  • 5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid
  • CS-0186139
  • BS-50869
  • Atracurium Besylate EP impurity B (Oxalate Salt)

MDL Number

MFCD11973631

FAQ

What regulatory guidelines apply to (R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate (CAS: 96687-52-4)?

This compound falls under multiple regulatory guidelines. For safety, shipping, and storage, it is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and classified as a hazardous substance. In the European Union, it must comply with REACH regulations. In the USA, it is subject to FDA and EPA requirements for safety and environmental protection.

Are there alternatives to (R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate (CAS: 96687-52-4) in synthesis?

There are several alternatives to this compound in synthesis, including other isoquinoline derivatives with similar functionalities. Common alternatives include use of isoquinoline analogs, isomers, and different reagents such as 3,4-dimethoxybenzyl derivatives or other dioxalate salts.

What is the market or research trend for (R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate (CAS: 96687-52-4)?

Research trends for this compound indicate increasing interest in its potential as a pharmaceutical intermediate. Market trends show growing demand in specialized chemical and pharmaceutical industries, driven by its unique molecular structure and biological activity. Emerging research focuses on its use in developing new drugs and materials.

How should waste containing (R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate (CAS: 96687-52-4) be handled?

Waste containing this compound should be collected in appropriate containers and stored separately. It should be disposed of by a licensed hazardous waste facility via incineration or professional waste disposal methods. Ensure all handling and disposal comply with local, national, and international environmental regulations to prevent environmental contamination.

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