Basic information
- CAS
29144-31-8- Standard SMILES
COc1ccc(CC2C3=C(CCCC3)CCN2C=O)cc1- InChIKey
XSOPBBOEINVWML-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde
- IUPAC
- 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
- English name
- 2-Formyl-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroispquinoline
- Molecular formula
- C18H23NO2
- Molecular weight
- 285.38
Names & synonyms
(+/-)-N-Formyl Octabase1-(4-methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde63477-91-851773-23-01-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline-2-carbaldehyde1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde(R)-1-(4-Methoxy-benzyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehydeEINECS 249-471-6PD6GG6KR8TSCHEMBL8477000N-Formyl octabase, (+/-)-DTXSID40951749
Show more names
(±)-N-Formyl OctabaseDextromethorphan Impurity 30Dexmedetomidine hydrobromide impurity VI(+) N-formyl-1-(p-methoxybenzyl) 1,2,3,4,5,6,7,8 octa-hydro isoquinoline2-Formyl-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroispquinoline2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,6,7,8-hexahydro-1-[(4-methoxyphenyl)methyl]-
(+)-3,4,5,6,7,8-hexahydro-1-(p-methoxybenzyl)-2(1H)-Isoquinolinecarboxaldehyde(1R)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline-2-carbaldehyde(1S)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline-2-carbaldehydeSB374563,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl]-2(1H)-isoquinolinecarboxaldehydeNS00050530(+)-1-(p-methoxybenzyl)-2-formyl-1,2,3,4,5,6,7,8-octahydroisoquinoline2-Formyl-1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Chemistry & industry
Applications
Uses(±)-N-Formyl Octabase is an intermediate in the synthesis of (±)-3-Methoxy-17-methylmorphinan Hydrobromide (M329120), the racemic mixture of Dextromethorphan (D299445) and Levomethorphan (L375850). Dextromethorphan is an antitussive compound showing analgesic properties; used in cough medication formulations. Levomethorphan is an antitussive medicine, a narcotic and controlled substance.
Suppliers7 total
南京望知星医药科技有限公司18569809817 · [email protected]
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宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
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Compound notes
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