diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine hydrochloride

• ChemBase ID: 137078
• Molecular Formular: C19H25ClN2S
• Molecular Mass: 348.9332
• Monoisotopic Mass: 348.14269749
• SMILES: CCN(CC)C(C)CN1c2ccccc2Sc2c1cccc2.Cl
• Canonical SMILES: CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC.Cl
• InChI: InChI=1S/C19H24N2S.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;/h6-13,15H,4-5,14H2,1-3H3;1H
• InChIKey: VXPCQISYVPFYRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine hydrochloride
• IUPAC Traditional name: ethopropazine hydrochloride
• Synonyms: 10-(2-Diethylaminopropyl)phenothiazine; 10-[2-(Diethylamino)propyl]phenothiazine hydrochloride; Dibutil hydrochloride; Parkin; Ethopropazine hydrochloride; 10-(2-二乙氨基丙基)吩噻嗪; 10-[2-(二乙氨基)丙基]吩噻嗪 盐酸盐; 乙丙嗪; 二乙异丙嗪 盐酸盐; 爱普杷嗪 盐酸盐

Database IDs

• CAS Number: 1094-08-2
• EC Number: 214-134-4
• MDL Number: MFCD00012653
• PubChem SID: 162231343
• PubChem CID: 122824

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5971804
• LogD (pH = 7.4): 2.8187735
• Log P: 5.001187
• Molar Refractivity: 98.0021 cm^3
• Polarizability: 37.847862 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: >5 mg/mL at ~60 °C, clear
• Apperance: white powder

Safety Information

• RTECS: SO5002000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC); 98%
• Empirical Formula (Hill Notation): C19H24N2S · HCl

DETAILS

Sigma Aldrich - E5406

Biochem/physiol Actions
Ethoproprazine hydrochloride is an inhibitor of butyrylcholinesterase; antiparkinsonian. It reduces extrapyramidal motor effects, characteristic of Parkinson′s disease; also alleviates thermal hyperalgesia in rats.

Sigma Aldrich - 285838

Biochem/physiol Actions
Ethoproprazine hydrochloride is an inhibitor of butyrylcholinesterase; antiparkinsonian. It reduces extrapyramidal motor effects, characteristic of Parkinson′s disease; also alleviates thermal hyperalgesia in rats.