Basic information
- CAS
34827-33-3- Standard SMILES
Oc1cc2c(cc1O)CNCC2- InChIKey
MBFUSGLXKQWVDW-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
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 an apoptosis inducer, an animal metabolite, a marine metabolite and a human metabolite. It is a conjugate base of a norsalsolinol(1+).
Names & identifiers
- Preferred name
- 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1,2,3,4-tetrahydroisoquinoline-6,7-diol
- English name
- norsalsolinol
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Norsalsolinol1,2,3,4-tetrahydroisoquinoline-6,7-diol34827-33-36,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline1,2,3,4-Tetrahydro-6,7-isoquinolinediol9SPO03ZH416,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-DTXSID90188366RefChem:166687DTXCID201108576,7-Dihydroxytetrahydroisoquinoline42887-47-8
Show more names
CHEMBL11862Tetrahydro-6,7-IsoquinolinediolBRN 0139174UNII-9SPO03ZH416,7-Isoquinolinediol, tetrahydro-5-21-04-00477 (Beilstein Handbook Reference)SCHEMBL232676SCHEMBL8328664
Database identifiers
- CAS
34827-33-3- PubChem CID
- 36937
- DTXSID
DTXSID90188366- ChEMBL
CHEMBL11862- ChEBI
CHEBI:173739- UNII
- 9SPO03ZH41
- Nikkaji
- J395.276B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 379.3 · 379.3±42.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.20(Predicted)
- FDA UNII
- 9 SPO03ZH41 · 9SPO03ZH41
Chemistry & industry
Suppliers4 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
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
1 records
Compound notes
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