BIAdb Pavinal 2920

BIAdb Pavinal 2920
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24892839
Chemical data
Formula	C₃₀H₄₄Cl₂N₂O₁₀
Mol. mass	663.58376
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

663.58376

*Exact Mass

662.237301

*Molecular Formula

C₃₀H₄₄Cl₂N₂O₁₀

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.O.O.O.Cl.Cl

*Isomeric Smiles

CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.O.O.O.Cl.Cl

*XLogP

N/A

*Hydrogen bond donor

6

*Hydrogen bond acceptor

12

*Rotational Bond Count

2

*Topological Polar Surface Area

92.9