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Also known as: 64228-78-0, Atracurium dioxalate, Cisatracurium oxalate, 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, Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1h-isoquinoline-2-propionate), dioxalate, Einecs 264-741-3
Molecular Formula
C55H70N2O20
Molecular Weight
1079.1  g/mol
InChI Key
NGJVDNJEQWIMBU-UHFFFAOYSA-N

CAS 64228-78-0
1 2D Structure

CAS 64228-78-0

2 Identification
2.1 Computed Descriptors
2.1.1 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
2.1.2 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)
2.1.3 InChI Key
NGJVDNJEQWIMBU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
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
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 64228-78-0

2. Atracurium Dioxalate

3. Cisatracurium Oxalate

4. 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

5. Pentamethylene Bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1h-isoquinoline-2-propionate), Dioxalate

6. Einecs 264-741-3

7. Atracuriumdioxalate

8. Dtxsid30867062

9. Bcp22907

10. Mfcd11618009

11. Akos015951366

12. Ac-24188

13. As-75189

14. Pentamethylene Bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1h-isoquinoline-2-propionate] Dioxalate

15. Db-050237

16. Ft-0655115

17. Ft-0694090

18. B0371-336184

19. 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)

20. Cis-atracurium Oxalate Pound>>atracurium Besylate Ep Impurity B;(r,r)-n,n Inverted Exclamation Mark -didemethyl Atracurium Oxalate;atracurium Dioxalate

21. 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

2.3 Create Date
2006-04-29
3 Chemical and Physical Properties
Molecular Weight 1079.1 g/mol
Molecular Formula C55H70N2O20
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count22
Rotatable Bond Count28
Exact Mass1078.45219263 g/mol
Monoisotopic Mass1078.45219263 g/mol
Topological Polar Surface Area282 Ų
Heavy Atom Count77
Formal Charge0
Complexity1370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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SUPPLIERS

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01

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Virtual BoothSynnat Pharma is one of the leading active pharmaceutical ingredients and intermediates manufacturers.

Atracurium Oxalate

CAS Number : 64228-78-0

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About the Company : Synnat Pharma is a fast-growing pharmaceutical company dedicated to the identification, development, production and distribution of potent phytochemicals and botanical extracts. APIs ma...

Synnat

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  • fda
  • EDQM
  • WHO-GMP

Virtual BoothJinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

Atracurium oxalate

CAS Number : 64228-78-0

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About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include custom...

Jinan Tantu Chemicals

03

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Atracurium dioxalate

CAS Number : 64228-78-0

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About the Company : Alchemia is dedicated to the production of high-quality active ingredients and intermediates for the pharmaceutical industry. Our goal is to offer products manufactured to the highest ...

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Atracurium oxalate crude

CAS Number : 64228-78-0

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About the Company : Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is established in 2009 and has an integrated focus from various disciplines including ...

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Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dih...

CAS Number : 64228-78-0

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About the Company : Novick Bio-Sciences is a rapidly-growing Contract Research and Development Organization (CRDO) providing chemistry and formulation development services to Global Pharmaceutical, Bio-tec...

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Atracurium oxalate

CAS Number : 64228-78-0

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About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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Atracurium oxalate

CAS Number : 64228-78-0

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About the Company : Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutical Ingredients (APIs) and Intermediates. We also represent some well-known GMP ...

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