1,2,3,4-Tetrahydroisoquinoline-7,8-diol;hydrochloride
Basic information
- CAS
42887-47-8- Standard SMILES
Cl.Oc1ccc2c(c1O)CNCC2- InChIKey
WQTMBMJVNUSTRY-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2
- Average molar mass
- 201.65 g/mol
- Monoisotopic mass
- 201.0556563
Overview
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Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydroisoquinoline-7,8-diol;hydrochloride
- IUPAC
- 1,2,3,4-tetrahydroisoquinoline-7,8-diol;hydrochloride
- English name
- 6,7-Dihydroxytetrahydroisoquinoline
- Molecular formula
- C9H12ClNO2
- Molecular weight
- 201.65
Names & synonyms
1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
Database identifiers
- CAS
42887-47-8- PubChem CID
- 13635217
- DTXSID
DTXSID00962770
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Additional notes
DefinitionChEBI: Norsalsolinol is an isoquinolinol that is 1,2,3,4-tetrahydroisoquinoline substituted by hydroxy groups at positions 6 and 7. It is present in the dopamine-rich areas of the human brain, including the substantia nigra. It has a role as a human metabolite, an animal metabolite, a marine metabolite and an apoptosis inducer. It is a conjugate base of a norsalsolinol(1+).
Related reactions
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Compound notes
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