기본 정보
- CAS
1098-60-8- 표준 SMILES
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl- InChIKey
FTNWXGFYRHWUKG-UHFFFAOYSA-N- 분자식
- C18H20ClF3N2S
- 평균 분자량
- 388.9 g/mol
- 단동위원소 질량
- 388.098782
이름 및 식별자
- 우선 이름
- 10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride
- IUPAC
- N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydrochloride
- 현지명
- 트리플루프로마진염산염
- 영어명
- Triflupromazine hydrochloride
- 분자식
- C18H20ClF3N2S
- 분자량
- 388.88
이름 및 동의어
Triflupromazine hydrochloride1098-60-8Triflupromazine HClFluopromazine monohydrochlorideTriflupromazine monohydrochlorideTrifluopromazine hydrochlorideDTXSID8045804NSC-14959NSC-174739E75N4A5HM10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochlorideMC-4703
이름 더 보기
트리플루프로마진염산염NeoprinFlumazinFluorofentriflupromazineHClLABOTEST-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
데이터베이스 식별자
- CAS
1098-60-8- PubChem CID
- 66069
- DTXSID
DTXSID8045804- ChEMBL
CHEMBL1201102- UNII
- 9E75N4A5HM
- EC Number
- 214-149-6
물성
구조 계산 물성
- 극성 표면적
- 31.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 416
실험 및 물리화학적 성질
Human Drugs
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]
물리화학적 성질
- 녹는점
- 174 to · 174.0 to 179.0 °C
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 수용성
- 물에 용해됨
- 용해도
- 5 mg/mL; · DMF: 5mg/mL; DMSO: 3mg/mL; Ethanol: 5mg/mL; Ethanol:PBS (pH 7.2) (1:10): 0.09mg/mL
- 색상
- 흰색에서 밝은 노란색
- Merck
- 14 · 14,9685
- BRN
- 3801519 · 3801519
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
유해성 정보
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%)
안전 데이터
- wgk
- 3
- rtecs
- SO8925000
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 2934302300
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 Inhalation
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요Triflupromazine 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.
용도analgesic, antiinflammatory, antipyretic, COX-II inhibitor
일반 설명Triflupromazinehydrochloride, 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.
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