BIAdb NSC635458 2834

BIAdb NSC635458 2834
Systematic (IUPAC) name
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	366736
Chemical data
Formula	C₂₀H₂₄BrNO₄
Mol. mass	422.31286
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

422.31286

*Exact Mass

421.088871

*Molecular Formula

C₂₀H₂₄BrNO₄

*IUPAC NAME

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

*Canonical Smiles

COC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3Br)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

3.9

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

6

*Topological Polar Surface Area

49