dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine hydrochloride

• ChemBase ID: 104746
• Molecular Formular: C18H20ClF3N2S
• Molecular Mass: 388.8780096
• Monoisotopic Mass: 388.09878199
• SMILES: Cl.CN(C)CCCN1c2c(Sc3ccc(cc13)C(F)(F)F)cccc2
• Canonical SMILES: CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C.Cl
• InChI: InChI=1S/C18H19F3N2S.ClH/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
• InChIKey: FTNWXGFYRHWUKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine hydrochloride
• IUPAC Traditional name: triflupromazine hydrochloride
• Synonyms: TRIFLUPROMAZINE HYDROCHLORIDE; Triflupromazine hydrochloride; 三氟丙嗪 盐酸盐

Database IDs

• CAS Number: 1098-60-8
• EC Number: 214-149-6
• MDL Number: MFCD00058103
• Beilstein Number: 3801519
• PubChem SID: 24870481; 162091715; 24278730
• PubChem CID: 66069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.52148
• LogD (pH = 7.4): 3.013445
• Log P: 4.808804
• Molar Refractivity: 94.9252 cm^3
• Polarizability: 35.040066 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SO8925000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H332
• GHS Precautionary statements: P280-P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

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

Product Information

• Grade: VETRANAL™, analytical standard
• Salt Data: hydrochloride
• Empirical Formula (Hill Notation): C18H19F3N2S · HCl

DETAILS

MP Biomedicals - 02157044

Hydrochloride

Sigma Aldrich - T2896

Biochem/physiol Actions
D2 dopamine antagonist; phenothiazine antipsychotic.

Sigma Aldrich - 46976

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