BIAdb Tubocurarine 3453

BIAdb Tubocurarine 3453
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	6000
Chemical data
Formula	C₃₇H₄₁N₂O₆+
Mol. mass	609.73124
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Chondrodendron tomentosum

Neuromuscular blocking agent

*Molecular Weight

609.73124

*Exact Mass

609.296462

*Molecular Formula

C₃₇H₄₁N₂O₆+

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC

*Isomeric Smiles

CN1CCC2=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

*XLogP

6

*Hydrogen bond donor

2

*Hydrogen bond acceptor

7

*Rotational Bond Count

2

*Topological Polar Surface Area

80.6