BIAdb Macoline 2575

BIAdb Macoline 2575
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	442321
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

Abuta grisebachii

muscle relaxant

*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)O)OC5=CC=C(CC6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)O)C=C5)OC

*Isomeric Smiles

CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)O)OC5=CC=C(C[C@@H]6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)O)C=C5)OC

*XLogP

6

*Hydrogen bond donor

2

*Hydrogen bond acceptor

7

*Rotational Bond Count

2

*Topological Polar Surface Area

80.6