Fetidine
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Basic information
- CAS
7072-86-8- Standard SMILES
COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(OC)c1Oc1cc3c(cc1OC)-c1c(O)c(OC)cc4c1[C@H](C3)N(C)CC4)N(C)CC2- InChIKey
IBHSRCBKJMEBQB-VMPREFPWSA-N- Molecular formula
- C40H46N2O8
- Average molar mass
- 682.8 g/mol
- Monoisotopic mass
- 682.32541643
Overview
Fetidine is a bisbenzylisoquinoline alkaloid.
Names & identifiers
- Preferred name
- Fetidine
- IUPAC
- (6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
- English name
- Fetidine
- Molecular formula
- C40H46N2O8
- Molecular weight
- 682.80184
Names & synonyms
Fetidine7072-86-8DTXSID10331776(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxy-phenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol(6aS)-9-(6-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2,3-dimethoxy-phenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-1-ol(6aS)-9-(6-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2,3-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-olRefChem:140350DTXCID10282870C09441AC1L9CGQSureCN2989372
Show more names
CHEBI:5049SCHEMBL2989372Q27106629(6aS)-9-(6-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,100
Chemistry & industry
Additional notes
DefinitionChEBI: Fetidine is a bisbenzylisoquinoline alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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