BIAdb 3',4'-desoxy-3,4-dihydropapaveroline 1038

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BIAdb 3',4'-desoxy-3,4-dihydropapaveroline 1038
Systematic (IUPAC) name
7-hydroxy-1-(phenylmethyl)-3,4-dihydro-2H-isoquinolin-6-one
Identifiers
CAS number	?
ATC code	?
PubChem	5377311
Chemical data
Formula	C₁₆H₁₅NO₂
Mol. mass	253.2958
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

253.2958

*Exact Mass

253.110279

*Molecular Formula

C₁₆H₁₅NO₂

*IUPAC NAME

7-hydroxy-1-(phenylmethyl)-3,4-dihydro-2H-isoquinolin-6-one

*Canonical Smiles

C1CNC(=C2C1=CC(=O)C(=C2)O)CC3=CC=CC=C3

*Isomeric Smiles

N/A

*XLogP

2.2

*Hydrogen bond donor

2

*Hydrogen bond acceptor

3

*Rotational Bond Count

2

*Topological Polar Surface Area

49.3