BIAdb Tubocurarine 3452

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BIAdb Tubocurarine 3452
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5351750
Chemical data
Formula	C₃₈H₄₄ClN₂O₆+
Mol. mass	660.21876
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Neuromuscular blocking agent

*Molecular Weight

660.21876

*Exact Mass

659.28879

*Molecular Formula

C₃₈H₄₄ClN₂O₆+

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[Cl-]

*Isomeric Smiles

C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

7

*Rotational Bond Count

2

*Topological Polar Surface Area

77.4