BIAdb Thalidasine 3402

BIAdb Thalidasine 3402
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	159795
Chemical data
Formula	C₃₉H₄₄N₂O₇
Mol. mass	652.77586
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Thalictrum foetidum

Hypotensive

*Molecular Weight

652.77586

*Exact Mass

652.314852

*Molecular Formula

C₃₉H₄₄N₂O₇

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC

*XLogP

6.4

*Hydrogen bond donor

0

*Hydrogen bond acceptor

9

*Rotational Bond Count

5

*Topological Polar Surface Area

71.1