Chlorpromazine sulfoxide
Basic information
- CAS
969-99-3- Standard SMILES
CN(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc21- InChIKey
QEPPAOXKZOTMPM-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2OS
- Average molar mass
- 334.9 g/mol
Overview
3-(2-chloro-5-oxo-10-phenothiazinyl)-N,N-dimethyl-1-propanamine is a member of phenothiazines.
Names & identifiers
- Preferred name
- Chlorpromazine sulfoxide
- IUPAC
- 3-(2-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
- English name
- ChlorproMazine Sulfoxide
- Molecular formula
- C17H19ClN2OS
- Molecular weight
- 334.86
Names & synonyms
Chlorpromazine sulfoxideOxychlorpromazineOpromazine969-99-3OpromazinSecotilTransedonChloropromazine sulfoxideChlorpromazine sulphoxideChlorpromazine-S-oxide5-OxychlorpromazineChlorpromazine-S-oxyd
Show more names
Ba-2835Chlorpromazine-001Chlorpromazine Impurity A（EP）Chlorpromazine impurity A (Y0000507)2-chloro-10-(3-(dimethylamino)propyl)
CPZ-OSulfoxide of chlorpromazineChlorpromazine EP Impurity ABa 2835NP 9565293 RPNSC 1709902-chloro-10-[3-(dimethylamino)propyl]-10H-5lambda4-phenothiazin-5-one
Database identifiers
- CAS
969-99-3- PubChem CID
- 70413
- DTXSID
DTXSID40871817- ChEMBL
CHEMBL823- ChEBI
CHEBI:125461- UNII
- 016U10PN9N
- Nikkaji
- J21.178H、J3.799.071J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
LogP3.18
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 115 ° · 115°
- Boiling point
- 502.6 · 502.6±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator, Under Inert Atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 9 · pKa 9.0 (Uncertain)
- form
- solid
- color
- Off-White to Brown
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
- InChIKey
- QEPPAOXKZOTMPM-UHFFFAOYSA-N
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
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- Toxicity
- LD50 s.c. in mice: 102 mg/kg (Minami, Yoshimoto)
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301
- Precautionary statements
- P301+P330+P331+P310
Chemistry & industry
Pharmacology
Metabolism/MetabolitesChlorpromazine S-oxide is a known human metabolite of chlorpromazine.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesChlorpromazine Sulfoxide is a derivative of Chlorpromazine Hydrochloride (C424750), which is a dopamine antagonist of the typical antipsychotic class of medications possessing additional antiadrenergic, antiserotonergic, anticholinergic and antihistaminergic properties used for schizophrenia treatment.
Additional notes
DefinitionChEBI: 3-(2-chloro-5-oxo-10-phenothiazinyl)-N,N-dimethyl-1-propanamine is a member of phenothiazines.
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Compound notes
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