Novick Biosciences

CAS 64228-78-0

Chemistry, 7 End Use API, 27 Related Intermediates

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1 Intermediates

1 Intermediates

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 Formula	C₅₅H₇₀N₂O₂₀
Molecular Weight	1079.1 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	28
Exact Mass	1078.45219263 g/mol
Monoisotopic Mass	1078.45219263 g/mol
Topological Polar Surface Area	282 Å²
Heavy Atom Count	77
Formal Charge	0
Complexity	1370
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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CAS Number

64228-78-0

End Use API

Atracurium Besylate

About the Company

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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