BIAdb NCGC00180968-01 2753

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 00:00, 15 January 2001 (edit) Special:Contributions/ (Talk) m ← Previous diff

Revision as of 11:21, 20 November 2009 (edit) (undo) Raghavagps (Talk | contribs) m (1 revision) Next diff →

---

Revision as of 11:21, 20 November 2009

Show 3-D Structure

Show 2-D Structure

BIAdb NCGC00180968-01 2753
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24871298
Chemical data
Formula	C37H44Cl2N2O7
Mol. mass	699.66046
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

699.66046

*Exact Mass

698.252557

*Molecular Formula

C₃₇H₄₄Cl₂N₂O₇

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C3C=C2C1CC4=CC(=CC=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.O.Cl.[Cl-]

*Isomeric Smiles

CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=CC=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.O.Cl.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

4

*Hydrogen bond acceptor

9

*Rotational Bond Count

2

*Topological Polar Surface Area

81.6

External Links

• Pubchem

Link to BIAdb Database