BIAdb Tretoquinol 3440

From DrugPedia: A Wikipedia for Drug discovery

Show 3-D Structure

Show 2-D Structure

BIAdb Tretoquinol 3440
Systematic (IUPAC) name
(1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Identifiers
CAS number	?
ATC code	?
PubChem	65772
Chemical data
Formula	C19H23NO5
Mol. mass	345.38962
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

N/A

Function

Bronchodilator

General Properties

*Molecular Weight

345.38962

*Exact Mass

345.157623

*Molecular Formula

C₁₉H₂₃NO₅

*IUPAC NAME

(1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

*Canonical Smiles

COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O

*Isomeric Smiles

COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O

*XLogP

2.5

*Hydrogen bond donor

3

*Hydrogen bond acceptor

6

*Rotational Bond Count

5

*Topological Polar Surface Area

80.2

External Links

• Pubchem

Link to BIAdb Database