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CAS 64228-78-0
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

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
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64228-78-0
Atracurium Oxalate
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Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...
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We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...
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-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
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64228-78-0
Atracurium dioxalate
Alchemia is dedicated to the production of high-quality active ingredients and intermediates for the phar...
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 standards of excellence in accordance with the following business philosophy: • State-of-the-art manufacturing facilities • Process optimization and continued improvement • Ongoing education and training of personnel • Long-term partnerships with suppliers and customers built on transparency • A constant exchange of ideas with the academic community.
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Louis Pharmaceuticals Private Limited is an Advanced Intermediates Manufacturing firm. The Company is est...
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 R&D, Quality Control, Quality Assurance, Environment, Human Resource, DRA, and Manufacturing teams. Louis Pharma has ISO 9001:2015 certification, Maintaining cGMP standards and meeting the current US DMF requirements.
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64228-78-0
Novick Bio-Sciences is a rapidly-growing Contract Research and Development Organization (CRDO) providing ...
Novick Bio-Sciences is a rapidly-growing Contract Research and Development Organization (CRDO) providing chemistry and formulation development services to Global Pharmaceutical, Bio-tech, Agrochemical Research Organizations and Academics to help our customers achieve their goals.Our commitment to scientists and researches alike is to offer the highest quality products with the most competitive pricing in a time effective manner delivering the research tools necessary in today’s competitive landscape.
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Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutic...
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