BIAdb Alcuronium 1106

BIAdb Alcuronium 1106
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	23724793
Chemical data
Formula	C₄₄H₅₀Cl₂N₄O₂
Mol. mass	737.7994
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Skeletal muscle relaxant

*Molecular Weight

737.7994

*Exact Mass

736.331082

*Molecular Formula

C₄₄H₅₀Cl₂N₄O₂

*IUPAC NAME

N/A

*Canonical Smiles

C=CC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)CC=C)C1=CC=CC=C16.[Cl-].[Cl-]

*Isomeric Smiles

C=CC[N@@+]12CC[C@@]34[C@@H]1C[C@@H](/C(=CCO)/C2)/C/5=C/N6C7/C(=CN(C53)C8=CC=CC=C48)/C9C[C@H]1[C@@]7(CC[N@+]1(C/C9=C/CO)CC=C)C1=CC=CC=C16.[Cl-].[Cl-]

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

6

*Rotational Bond Count

6

*Topological Polar Surface Area

46.9