(6S)-6-((1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one
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Basic information
- CAS
38184-69-9- Standard SMILES
COc1cc2c(cc1OC)[C@@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)N(C)CC2- InChIKey
SZDGAZFTAUFFQH-OALUTQOASA-N- Molecular formula
- C21H21NO6
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.13688739
Overview
(+)-Adlumine is a member of isoquinolines.
Names & identifiers
- Preferred name
- (6S)-6-((1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one
- IUPAC
- (6S)-6-[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
- English name
- Adlumine
- Molecular formula
- C21H21NO6
- Molecular weight
- 383.39
Names & synonyms
(+-)-AdlumineAdlumineD-AdlumineO-Methylcorledine524-46-9Adlumine, (+)-X0E9NYY64DFURO(3,4-E)-1,3-benzodioxol-8(6H)-one, 6-((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)-, (6S)-G983626Z8LDTXSID10200413RefChem:1050699DTXCID10122904
Show more names
Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]-, (6R)-rel-
(6S)-6-((1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one(+)-AdlumineAdlumine [MI](+/-)-AdlumineAdlumine DL-form [MI]Adlumine, (+/-)-38184-69-9FURO(3,4-E)-1,3-benzodioxol-8(6H)-one, 6-((1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)-, (6R)-rel-
Database identifiers
- CAS
38184-69-9、524-46-9- PubChem CID
- 442155
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 542.1 · 542.1±50.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 6.71 · 6.71±0.40(Predicted)
- FDA UNII
- 0 E9NYY64D · X0E9NYY64D
Chemistry & industry
Additional notes
DefinitionChEBI: (+)-Adlumine is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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