BIAdb CID596431 1766

BIAdb CID596431 1766
Systematic (IUPAC) name
1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Identifiers
CAS number	?
ATC code	?
PubChem	596431
Chemical data
Formula	C₁₇H₁₉NO₄
Mol. mass	301.33706
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

301.33706

*Exact Mass

301.131408

*Molecular Formula

C₁₇H₁₉NO₄

*IUPAC NAME

1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

*Canonical Smiles

COC1=C(C=CC(=C1)CC2C3=CC(=C(C=C3CCN2)O)O)O

*Isomeric Smiles

N/A

*XLogP

2.2

*Hydrogen bond donor

4

*Hydrogen bond acceptor

5

*Rotational Bond Count

3

*Topological Polar Surface Area

82