Perphenazine sulfoxide
Basic information
- CAS
10078-25-8- Standard SMILES
O=S1c2ccccc2N(CCCN2CCN(CCO)CC2)c2cc(Cl)ccc21- InChIKey
WXJXTMQMAOYROI-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O2S
- Average molar mass
- 420 g/mol
- Monoisotopic mass
- 419.1434259
Names & identifiers
- Preferred name
- Perphenazine sulfoxide
- IUPAC
- 2-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
- English name
- PERPHENAZINE SULFOXIDE (100 MG)
- Molecular formula
- C21H26ClN3O2S
- Molecular weight
- 419.97
Names & synonyms
Perphenazine sulfoxide10078-25-8UNII-5S6Q9MQ62MBRN 12302235S6Q9MQ62METHAPERAZINE SULFOXIDE2-Chloro-10-(3-(4-(2-hydroxyethyl)-7-piperazinyl)propyl)phenothiazine1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-, sulfoxidePERPHENAZINE SULFOXIDE [USP-RS]PERPHENAZINE IMPURITY A [EP IMPURITY]PERPHENAZINE SULFOXIDE [USP IMPURITY]PERPHENAZINE SULFOXIDE (USP-RS)
Show more names
PERPHEZINE SULFOXIDEPerphenazine SulfatePerphenazin SulfoxidePerphenazine Impurity 2Perphenazine EP Impurity APerphenazine Sulfoxide (25 mg)Perphenazine Sulfoxide (1511203)
1-PIPERAZINEETHANOL, 4-(3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL)-, S-OXIDE1-PIPERAZINEETHANOL, 4-(3-(2-CHLORO-5-OXIDO-10H-PHENOTHIAZIN-10-YL)PROPYL)-2-(4-(3-(2-CHLORO-5-OXIDO-10H-PHENOTHIAZIN-10-YL)PROPYL)PIPERAZIN-1-YL)ETHANOLPERPHENAZINE IMPURITY A (EP IMPURITY)PERPHENAZINE SULFOXIDE (USP IMPURITY)RefChem:171851PERPHENAZINE SULFOXIDE, (+-)-PERPHENAZINE SULFOXIDE (100 MG)
Database identifiers
- CAS
10078-25-8- PubChem CID
- 82341
- DTXSID
DTXSID70905735- UNII
- 5S6Q9MQ62M
- EC Number
- 642-264-5
- Nikkaji
- J50.618D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 624.8 · 624.8±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.96 · 14.96±0.10(Predicted)
- form
- Solid
- color
- Pale Yellow to Light Orange
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 S6Q9MQ62M · 5S6Q9MQ62M
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- HS Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934305050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Pharmacology
Metabolism/MetabolitesPerphenazine sulfoxide is a known human metabolite of perphenazine.
Applications
UsesPerphenazine Sulfoxide (Perphenazine EP Impurity A) acts as a D2 dopamine receptor antagonist; α-adrenergic receptor antagonist and σ-receptor agonist; phenothiazine antipsychotic. Inhibits glutamate dehydrogenase in vitro. Antipsychotic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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