Armepavine

(Difference between revisions)

Current revision

Armepavine
Systematic (IUPAC) name
4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
Identifiers
CAS number	?
ATC code	?
PubChem	98348
ChemSpider	88809
Chemical data
Formula	C₁₉H₂₃NO₃
Mol. mass	313.39082
SMILES	eMolecules & PubChem
Synonyms	Evoeuropine
Physical data
Melt. point	144-145 °C
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

reticuline-like; RN given refers to cpd without isomeric designation

*Molecular Weight

313.39082

*Molecular Formula

C₁₉H₂₃NO₃

*IUPAC NAME

4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC

*Isomeric Smiles CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC

*XLogP

2.7

*Topological Polar Surface Area

41.9

@@ Line 8: / Line 8: @@
 | PubChem           = 98348
 | DrugBank          =
-| ChemSpiderID      =
+| ChemSpiderID      = 88809
 | chemical_formula  =C<sub>1</sub><sub>9</sub>H<sub>2</sub><sub>3</sub>NO<sub>3</sub>
 | molecular_weight  = 313.39082
-| smiles            = N/A
+| smiles            = CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC
-| synonyms          =
+| synonyms          = Evoeuropine
 | density           =
-| melting_point     =
+| melting_point     = 144-145
 | boiling_point     =
 | solubility        =
@@ Line 44: / Line 44: @@
 <b>*Isomeric Smiles</b>
+CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC
-N/A
 <b>*XLogP</b>
@@ Line 60: / Line 59: @@
 [http://crdd.osdd.net/raghava/biadb/detail.php?id=2138 Link to BIAdb Database]
+[[Category:BIAdb_old]]