Basic information
- CAS
37491-98-8- Standard SMILES
CN1CCc2cc(O)c(O)cc2C1- InChIKey
WETXYFNVBDLWIW-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Overview
N-methylnorsalsolinol is an isoquinolinol that is norsalsolinol substituted by a methyl group at position 2. It is present in normal human brain and also identified in the cerebrospinal fluid of patients with Parkinson's disease. It has a role as a neurotoxin, a human metabolite and a rat metabolite. It is an isoquinolinol and a tertiary amino compound. It is functionally related to a norsalsolinol.
Names & identifiers
- Preferred name
- 2-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
- English name
- 2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
37491-98-82-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol2-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline1,2,3,4-Tetrahydro-2-methyl-6,7-isoquinolinediol2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diolQVW3CZK8SF6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-2-METHYL-DTXSID70190942N-MethylnorsalsolinolNMNSALRefChem:881992-MDTIQ
Show more names
2[N]-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
DTXCID101134332(N)-Methyl-norsalsolinolCHEMBL544714BRN 0150401UNII-QVW3CZK8SF4-21-00-02109 (Beilstein Handbook Reference)SCHEMBL6247473CHEMBL1193326
Database identifiers
- CAS
37491-98-8、63937-92-8- PubChem CID
- 37764
- DTXSID
DTXSID70190942- ChEMBL
CHEMBL1193326、CHEMBL544714- ChEBI
CHEBI:89546
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 221 · 221-222 °C
- Boiling point
- 344.5 · 344.5±42.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 8.26 · 8.26±0.20(Predicted)
- FDA UNII
- 3 CZK8SF · QVW3CZK8SF
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: N-methylnorsalsolinol is an isoquinolinol that is norsalsolinol substituted by a methyl group at position 2. It is present in normal human brain and also identified in the cerebrospinal fluid of patients with Parkinson's disease. It has a role as a human metabolite, a rat metabolite and a neurotoxin. It is an isoquinolinol and a tertiary amino compound. It is functionally related to a norsalsolinol.
Related reactions
0 records
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Compound notes
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