BIAdb NCGC00180968-01 2753

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	?

[edit] Description

N/A

Unknown

*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