BIAdb Toxiferine IV 3438

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BIAdb Toxiferine IV 3438
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	6444552
Chemical data
Formula	C₄₀H₄₈N₄O₄+₂
Mol. mass	648.83352
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

648.83352

*Exact Mass

648.367556

*Molecular Formula

C₄₀H₄₈N₄O₄+₂

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]12CCC34C1CC(C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C3CC9[N+](CC1)(CC3=CCO)C)O)C1=CC=CC=C41)O)C(=CCO)C2

*Isomeric Smiles

C[N+]12C3C4(C5(N(C6=CC=CC=C46)C7C(C5C(C3)/C(=C/CO)/C1)N8C9(C7C1/C(=C/CO)/C[N+]3(C(C9(C4=CC=CC=C84)CC3)C1)C)O)O)CC2

*XLogP

1.2

*Hydrogen bond donor

4

*Hydrogen bond acceptor

6

*Rotational Bond Count

2

*Topological Polar Surface Area

87.4