BIAdb Toxiferine I 3437

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BIAdb Toxiferine I 3437
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5321990
Chemical data
Formula	C₄₁H₅₀N₄O₂+₂
Mol. mass	630.8613
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

630.8613

*Exact Mass

630.393377

*Molecular Formula

C₄₁H₅₀N₄O₂+₂

*IUPAC NAME

N/A

*Canonical Smiles

[HH].CC12CC3C(=CCO)C[N+]1(CCC24C5C3=CN6C7C(=CN5C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16)C

*Isomeric Smiles

[HH].C[C@@]12C[C@H]3/C(=CCO)/C[N@@+]1(CC[C@]24[C@@H]5/C3=CN6[C@H]7/C(=CN5C8=CC=CC=C48)/[C@H]9C[C@H]1[C@@]7(CC[N@+]1(C/C9=C/CO)C)C1=CC=CC=C16)C

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

46.9