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10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride

HCID 66069
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1098-60-8
Standard SMILES
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl
InChIKey
FTNWXGFYRHWUKG-UHFFFAOYSA-N
Molecular formula
C18H20ClF3N2S
Average molar mass
388.9 g/mol
Monoisotopic mass
388.098782

Names & identifiers

Preferred name
10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride
IUPAC
N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydrochloride
English name
Triflupromazine hydrochloride
Molecular formula
C18H20ClF3N2S
Molecular weight
388.88

Names & synonyms

Triflupromazine hydrochloride1098-60-8Triflupromazine HClFluopromazine monohydrochlorideTriflupromazine monohydrochlorideTrifluopromazine hydrochlorideDTXSID8045804NSC-14959NSC-174739E75N4A5HM10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochlorideMC-4703
Show more names
NeoprinFlumazinFluorofentriflupromazineHClLABOTEST-BB LT00772332TRIFLUPROMAZINE HCL IP/USPFluopromazine hydrochloridetrifluopromazinehydrochlorideTriupromazine Hydrochloride (200 mg)
DTXCID602580410-(3-Dimethylaminopropyl)-2-(trifluoromethyl)phenothiazine hydrochloride10-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)phenothiazine monohydrochlorideCHEBI:971210-[3-(Dimethylamino)propyl]-2-(trifluoromethyl)phenothiazine monohydrochlorideRefChem:1057302Vetame Injectable, Vetame Tablets214-149-6

Properties

Computed structural properties

Topological polar surface area
31.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
416

Experimental & physicochemical properties

Human Drugs · 2 items

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section175.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point
174 to · 174.0 to 179.0 °C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Water Solubility
Soluble in water
solubility
5 mg/mL; · DMF: 5mg/mL; DMSO: 3mg/mL; Ethanol: 5mg/mL; Ethanol:PBS (pH 7.2) (1:10): 0.09mg/mL
color
White to Light yellow
λmax
305 nm · 305nm(H2O)(lit.)
Merck
14 · 14,9685
BRN
3801519 · 3801519
Stability
Hygroscopic

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 · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk
3
rtecs
SO8925000
ridadr
UN 2811 6.1/PG 3
hs_code
2934302300
risk_code
20/21/22
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
Xn
safety_code
36
hazard_class
6.1

Chemistry & industry

Applications · 3 items

DescriptionTriflupromazine is a phenothiazine with diverse biological activities. It binds to muscarinic receptors in isolated rat corpus striatum (IC50 = 100 μM in a radioligand binding assay). Triflupromazine inhibits serotonin (5-HT) uptake by isolated rat brainstem synaptosomes (IC50 = 0.8 μM). It inhibits T. cruzi infection in mouse peritoneal macrophages when used at a concentration of 12.5 μM. Triflupromazine is active against S. aureus, shigellae, and vibrios (MICs = 2-100 μg/ml) in vitro and is protective against S. typhimurium infection in mice when administered at a dose of 30 μg per animal. Formulations containing triflupromazine were previously used as antipsychotics.

Usesanalgesic, antiinflammatory, antipyretic, COX-II inhibitor

General DescriptionTriflupromazinehydrochloride, 10-[3-(dimethylamino)propyl]-2-(trifluoromethyl)phenothiazine monohydrochloride (Vesprin), has agreater milligram potency as an antipsychotic, higher EPS,but lower sedative and hypotensive effects than chlorpromazine.The 2-CF3 versus the 2-Cl is associated with thesechanges. Overall, the drug has uses analogous to those ofchlorpromazine.

Upstream & downstream products

Upstream raw materials

2-(Trifluoromethyl)phenothiazineSodium amide

Suppliers56 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技(上海)有限公司

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
1098-60-8
PubChem CID
66069
DTXSID
DTXSID8045804
ChEMBL
CHEMBL1201102
UNII
9E75N4A5HM
EC Number
214-149-6
Major Application
pharmaceutical (small molecule)
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
SMILES
Cl.CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F
CAS DataBase Reference
1098 · 1098-60-8
FDA UNII
9 E75N4A5HM · 9E75N4A5HM
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
301 · H301-H312+H332
Precautionary statements
261 · P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P312
Hazard Codes
Xn
Risk Statements
20 · 20/21/22
Safety Statements
36 · 36
RIDADR
2811 · UN 2811 6.1/PG 3
WGK Germany
3 · 3
RTECS
8925000 · SO8925000
HazardClass
6.1 · 6.1
PackingGroup
III
HS Code
2934302300 · 2934302300
Storage Class
6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 Inhalation
Storage Class
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group
III
Hazard statements
H301-H312+H332
Hazard Classifications
Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 Inhalation
Precautionary statements
P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P312
17717235263 · [email protected]
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广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
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上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
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广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
爱必信(上海)生物科技有限公司13761418683 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Musechem+1-800-259-7612 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]