dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine hydrochloride

• ChemBase ID: 104553
• Molecular Formular: C17H21ClN2S
• Molecular Mass: 320.88004
• Monoisotopic Mass: 320.11139736
• SMILES: Cl.CN(C)CCCN1c2ccccc2Sc2ccccc12
• Canonical SMILES: CN(CCCN1c2ccccc2Sc2c1cccc2)C.Cl
• InChI: InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H
• InChIKey: JIVSXRLRGOICGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine hydrochloride
• IUPAC Traditional name: promazine hydrochloride
• Synonyms: Promazine hydrochloride; 10-(3-Dimethylaminopropyl)phenothiazine hydrochloride; PROMAZINE; N,N-Dimethyl-10H-phenothiazine-10-propanamine Hydrochloride; 10-(γ-Dimethylamino-n-propyl)phenothiazine Hydrochloride; Esparinal; Liranol; Prolactyl; Promwill; Propazin; Propazine; Sparine; Talofen; Promazine Hydrochloride; N,N-Dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine hydrochloride; 10-(3-二甲基氨丙基)吩噻嗪 盐酸盐; 普马嗪 盐酸盐

Database IDs

• CAS Number: 53-60-1
• EC Number: 200-179-7
• MDL Number: MFCD00058535
• Beilstein Number: 3753230
• PubChem SID: 24278645; 24870361; 162092022
• PubChem CID: 5887

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6436315
• LogD (pH = 7.4): 2.1355963
• Log P: 3.9309556
• Molar Refractivity: 88.9515 cm^3
• Polarizability: 34.1545 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid
• Melting Point: 174-176°C

Safety Information

• Storage Condition: Refrigerator
• RTECS: SO8575000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-43
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... DRD2(1813)

Product Information

• Purity: 95+%
• Grade: VETRANAL™, analytical standard
• Linear Formula: C17H20N2S · HCl

DETAILS

MP Biomedicals - 02156383

(10-[3-(Dimethylamino)propyl]-phenothiazine)
Hydrochloride

Sigma Aldrich - P6656

Biochem/physiol Actions
D2 dopamine receptor antagonist; phenothiazine antipsychotic.

Sigma Aldrich - 46674

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - P756300

Antipsychotic. Tranquilizer.

REFERENCES

• Banci, L., et al.: Biochemistry, 38, 3205 (1999)
• Lawal, O., et al.: Food Chemi., 87, 205 (1999)
• Shleev, S., et al.: Bioorg. Chem., 35, 35 (1999)