Basic information
- CAS
42887-47-8- Standard SMILES
Oc1ccc2c(c1O)C[NH2+]CC2.[Cl-]- InChIKey
WQTMBMJVNUSTRY-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2
- Average molar mass
- 201.65 g/mol
- Monoisotopic mass
- 201.0556563
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydroisoquinoline-7,8-diol--hydrogen chloride (1/1)
- IUPAC
- 1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol chloride
- English name
- 6,7-Dihydroxytetrahydroisoquinoline
- Molecular formula
- C9H12ClNO2
- Molecular weight
- 201.65
Names & synonyms
DTXSID009627701,2,3,4-Tetrahydroisoquinoline-7,8-diol--hydrogen chloride (1/1)RefChem:1051931DTXCID9013905626,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride1,2,3,4-tetrahydroisoquinolin-2-ium-7,8-diol;chlorideISOQUINOLINE, 6,7-DIHYDROXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
Database identifiers
- CAS
42887-47-8- PubChem CID
- 39353
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Suppliers1 total
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
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
0 records
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Compound notes
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