Atracurium

5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

CAS: 64228-79-1

Molecular Formula	`C53H72N2O12+2`
Molecular Weight	929.1 g/mol
LogP	7.9
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	12
Rotatable Bonds	26
Exact Mass	928.50854
Heavy Atoms	67
Complexity	1390.0

Chemical Identifiers

CAS Number	64228-79-1
SMILES	`C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C`
InChIKey	`YXSLJKQTIDHPOT-UHFFFAOYSA-N`

📖 Product Overview

Atracurium (CAS: 64228-79-1) is a chemical compound with molecular formula C53H72N2O12+2 and molecular weight 929.1 g/mol. Its IUPAC systematic name is 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate. LogP 7.9 Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 12 Rotatable Bonds 26 Exact Mass 928.50854 Heavy Atoms 67 Complexity 1390.0 InChI Key: YXSLJKQTIDHPOT-UHFFFAOYSA-N. SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

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