BIAdb Tetrandrine dimethiodide 3377

Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)

BIAdb Tetrandrine dimethiodide 3377
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	211155
Chemical data
Formula	C₄₀H₄₈I₂N₂O₆
Mol. mass	906.62786
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

906.62786

*Exact Mass

906.160173

*Molecular Formula

C₄₀H₄₈I₂N₂O₆

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)OC)OC)OC)C.[I-].[I-]

*Isomeric Smiles

C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)OC)OC)OC)C.[I-].[I-]

*XLogP

N/A

*Hydrogen bond donor

0

*Hydrogen bond acceptor

8

*Rotational Bond Count

4

*Topological Polar Surface Area

55.4