Meprotixol
Basic information
- CAS
4295-63-0- Standard SMILES
COc1ccc2c(c1)C(O)(CCCN(C)C)c1ccccc1S2- InChIKey
LAYVFLWAVIGDLK-UHFFFAOYSA-N- Molecular formula
- C19H23NO2S
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.14495015
Overview
Meprotixol is a member of thioxanthenes.
Names & identifiers
- Preferred name
- Meprotixol
- IUPAC
- 9-[3-(dimethylamino)propyl]-2-methoxythioxanthen-9-ol
- English name
- Meprotixol
- Molecular formula
- C19H23NO2S
- Molecular weight
- 329.46
Names & synonyms
MeprotixolMeprothixolMeprotixol [INN]MeprotixolumMeprotixolum [INN-Latin]Meprotixol [INN:BAN]N 7020UNII-2JXZ154Z0QMeprotixol (INN)N-7020BRN 03033672JXZ154Z0Q
Show more names
9-[3-(dimethylamino)propyl]-2-methoxythioxanthen-9-ol9-[3-(dimethylamino)propyl]-2-methoxy-thioxanthen-9-ol9H-Thioxanthen-9-ol, 9-[3-(dimethylamino)propyl]-2-methoxy-
9-(3-(Dimethylamino)propyl)-2-methoxy-thioxanthene-9-ol9H-Thioxanthen-9-ol, 9-(3-(dimethylamino)propyl)-2-methoxy-MEPROTIXOL [WHO-DD]2-Methoxy-9-((3-dimethylamino)propyl)-9-hydroxythioxantheneDTXSID408633589-[3-(DIMETHYLAMINO)PROPYL]-2-METHOXY-9H-THIOXANTHEN-9-OL4-18-00-07445 (Beilstein Handbook Reference)Thioxanthene, 2-methoxy-9-((3-dimethylamino)propyl)-9-hydroxy-
Database identifiers
- CAS
4295-63-0- PubChem CID
- 71195
- DTXSID
DTXSID40863358- ChEMBL
CHEMBL2105167- ChEBI
CHEBI:134748- UNII
- 2JXZ154Z0Q
- Nikkaji
- J8.700I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 117 · 117-118 °C
- Boiling point
- 483.5 · 483.5±45.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.20(Predicted)
- FDA UNII
- 2 JXZ154Z0Q · 2JXZ154Z0Q
- ATC code
- 5 DB22 · R05DB22
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Additional notes
DefinitionChEBI: Meprotixol is a member of thioxanthenes.
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