BIAdb Atracurium 1255

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BIAdb Atracurium 1255
Systematic (IUPAC) name
5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Identifiers
CAS number	?
ATC code	?
PubChem	47319
Chemical data
Formula	C53H72N2O12+2
Mol. mass	929.14498
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Neuromuscular blocking agent

[edit] General Properties

*Molecular Weight

929.14498

*Exact Mass

928.508526

*Molecular Formula

C₅₃H₇₂N₂O₁₂+₂

*IUPAC NAME

5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

*Canonical 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

*Isomeric Smiles

N/A

*XLogP

7.9

*Hydrogen bond donor

0

*Hydrogen bond acceptor

12

*Rotational Bond Count

26

*Topological Polar Surface Area

126

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database