Csh 068
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Basic information
- CAS
13425-06-4- Standard SMILES
COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1- InChIKey
LZJWNVLTWYMMDJ-UHFFFAOYSA-N- Molecular formula
- C20H25NO3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.18344366
Overview
(+)-O-Methylarmepavine is a member of isoquinolines.
Names & identifiers
- Preferred name
- Csh 068
- IUPAC
- 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
- English name
- 1,2,3,4-Tetrahydro-1-(4-methoxybenzyl)-6,7-dimethoxy-2-methylisoquinoline
- Molecular formula
- C20H25NO3
- Molecular weight
- 327.42
Names & synonyms
Csh 06813425-06-4Csh-068CSH068RefChem:1286801934-93-6Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxyphenyl)methyl)-2-methyl-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline(+)-O-MethylarmepavineCHEMBL4525006,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolineDL-Armepavine, O-methyl-
Show more names
O-Methylarmepavine6,7-Dimethoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(4-methoxybenzyl)-2-methylisoquinoline1,2,3,4-Tetrahydro-1-(4-methoxybenzyl)-6,7-dimethoxy-2-methylisoquinoline1-(4-Methoxybenzyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
NSC89826SCHEMBL12807818DTXSID60928534CHEBI:172557LZJWNVLTWYMMDJ-UHFFFAOYSA-NBDBM50478462NSC-898267,12-O,O''''-dimethyl-N-methylcoclaurine
Database identifiers
- CAS
13425-06-4、1934-93-6、3423-02-7- PubChem CID
- 259676
- DTXSID
DTXSID60928534- ChEMBL
CHEMBL452500- ChEBI
CHEBI:172557- Nikkaji
- J407.029A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
Melting Point60 - 62 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 202 · 202-203 °C
- Boiling point
- 445.7 · 445.7±45.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 7.89 · 7.89±0.40(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: (+)-O-Methylarmepavine is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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