BIAdb Mivacurium 2693

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BIAdb Mivacurium 2693
Systematic (IUPAC) name
bis[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate
Identifiers
CAS number	?
ATC code	?
PubChem	6308454
Chemical data
Formula	C₅₈H₈₀N₂O₁₄+₂
Mol. mass	1029.2608
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Neuromuscular blocking agent

*Molecular Weight

1029.2608

*Exact Mass

1028.560955

*Molecular Formula

C₅₈H₈₀N₂O₁₄+₂

*IUPAC NAME

bis[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate

*Canonical Smiles

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C

*Isomeric Smiles

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C

*XLogP

8.7

*Hydrogen bond donor

0

*Hydrogen bond acceptor

14

*Rotational Bond Count

30

*Topological Polar Surface Area

145