BIAdb Oblongine 2851

BIAdb Oblongine 2851
Systematic (IUPAC) name
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
Identifiers
CAS number	?
ATC code	?
PubChem	173713
Chemical data
Formula	C₁₉H₂₄NO₃+
Mol. mass	314.39876
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Leontice leontopetalumn

Unknown

*Molecular Weight

314.39876

*Exact Mass

314.175619

*Molecular Formula

C₁₉H₂₄NO₃+

*IUPAC NAME

(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol

*Canonical Smiles

C[N+]1(CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C

*Isomeric Smiles

C[N+]1(CCC2=C([C@@H]1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C

*XLogP

3.1

*Hydrogen bond donor

2

*Hydrogen bond acceptor

3

*Rotational Bond Count

3

*Topological Polar Surface Area

49.7