BIAdb CID3070972 1752

BIAdb CID3070972 1752
Systematic (IUPAC) name
2,3,10,11-tetramethoxy-6-(4-methylphenyl)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
Identifiers
CAS number	?
ATC code	?
PubChem	3070972
Chemical data
Formula	C₂₈H₃₂ClNO₄
Mol. mass	482.01098
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

482.01098

*Exact Mass

481.201986

*Molecular Formula

C₂₈H₃₂ClNO₄

*IUPAC NAME

2,3,10,11-tetramethoxy-6-(4-methylphenyl)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride

*Canonical Smiles

CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3C4N2CC5=CC(=C(C=C5C4)OC)OC)OC)OC.Cl

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

5

*Topological Polar Surface Area

40.2