1-[2-(4-Chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol chloride
Basic information
- CAS
64047-73-0- Standard SMILES
COc1cc2c(cc1O)C(CCc1ccc(Cl)cc1)[NH+](C)CC2.[Cl-]- InChIKey
NVIPBLQAFKRFSZ-UHFFFAOYSA-N- Molecular formula
- C19H23Cl2NO2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.1105844
Overview
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Names & identifiers
- Preferred name
- 1-[2-(4-Chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol chloride
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol chloride
- English name
- Ro 04-5595 hydrochloride
- Molecular formula
- C19H23Cl2NO2
- Molecular weight
- 368.3
Names & synonyms
Ro 04-5595Ro 04 5595 hydrochloride,Ro 045595 hydrochloride
Database identifiers
- CAS
64047-73-0- PubChem CID
- 46739
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 15 mM · Soluble to 15 mM in water and to 100 mM in DMSO
- form
- Powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesRo 04-5595 Hydrochloride is a selective NMDA receptor inhibitor.
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Related reactions
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Compound notes
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