BIAdb BG-9 1515

BIAdb BG-9 1515
Systematic (IUPAC) name
(1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Identifiers
CAS number	?
ATC code	?
PubChem	53594
Chemical data
Formula	C₃₆H₄₆N₂O₅
Mol. mass	586.76084
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

586.76084

*Exact Mass

586.340673

*Molecular Formula

C₃₆H₄₆N₂O₅

*IUPAC NAME

(1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone

*Canonical Smiles

CCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3CC5=CC(=C(C=C5)OC)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

6.4

*Hydrogen bond donor

0

*Hydrogen bond acceptor

6

*Rotational Bond Count

11

*Topological Polar Surface Area

60.5