BIAdb Tetrandrine and Ethoxyd 3378

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Revision as of 11:41, 20 November 2009

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BIAdb Tetrandrine and Ethoxyd 3378
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	3003352
Chemical data
Formula	C55H62N4O8S
Mol. mass	939.16778
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

N/A

Function

Unknown

General Properties

*Molecular Weight

939.16778

*Exact Mass

938.428836

*Molecular Formula

C₅₅H₆₂N₄O₈S

*IUPAC NAME

N/A

*Canonical Smiles

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC.CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

*Isomeric Smiles

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC.CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

10

*Rotational Bond Count

10

*Topological Polar Surface Area

104

External Links

• Pubchem

Link to BIAdb Database