1-(3,4,5-Trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
Basic information
- CAS
72512-01-7- Standard SMILES
COc1cc(C2[NH2+]CC(O)c3cc(O)ccc32)cc(OC)c1OC.[Cl-]- InChIKey
AQKZNWIUCUVZST-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO5
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1186505
Names & identifiers
- Preferred name
- 1-(3,4,5-Trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
- IUPAC
- 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Names & synonyms
72512-01-7DTXSID909933561-(3,4,5-Trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)RefChem:1054068DTXCID3014204044,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (3:3:1)1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol hydrochloride H2O (3:3:1)
Database identifiers
- CAS
72512-01-7- PubChem CID
- 51614
Properties
Computed structural properties
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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