Ufenamate

HCID 5632CAS 67330-25-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIKey: JDLSRXWHEBFHNC-UHFFFAOYSA-N
분자식: C18H18F3NO2
평균 분자량: 337.3 g/mol
단동위원소 질량: 337.12896348

개요

Ufenamate is an organic molecular entity.

이름 및 식별자

우선 이름: Ufenamate
IUPAC: butyl 2-[3-(trifluoromethyl)anilino]benzoate
영어명: ufenamate
분자식: C18H18F3NO2
분자량: 337.34

이름 및 동의어

ufenamate67330-25-0Butyl flufenamateCombecFlufenamic acid butyl esterUfenamatoUfenamatum8Z7O7C1SLZDTXSID30867269RefChem:900977DTXCID10815465614-050-1

이름 더 보기

Etofenamate EP Impurity BHF-264ufemateButyl NWufena ester

Butyl 2-((3-(trifluoromethyl)phenyl)amino)benzoatefenazolUfenamato [Spanish]butyl 2-[3-(trifluoromethyl)anilino]benzoateMFCD00866001HF 264s5261CCG-267880

데이터베이스 식별자

CAS: 67330-25-0
PubChem CID: 5632
DTXSID: DTXSID30867269
ChEMBL: CHEMBL2105605
ChEBI: CHEBI:32276
UNII: 8Z7O7C1SLZ
EC Number: 614-050-1
Nikkaji: J22.205D

물성

구조 계산 물성

XLogP: 6.8
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 24
형식 전하: 0
복잡도: 400

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

DrugsPharmaceuticals -> Musculo-skeletal system -> Anti-inflammatory and antirheumatic products

물리화학적 성질

끓는 점: 170 °C/1mmHg · 170°C/1mmHg(lit.)
밀도: 1.223 · 1.2230 (estimate)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.553 to · 1.5530 to 1.5570
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 44 mg/mL · DMSO: ≥ 44 mg/mL (130.43 mM)
물리적 상태: 투명한 액체
산도 계수 (pKa): -2.36 · -2.36±0.50(Predicted)
색상: White to Yellow to Green
Merck: 14 · 14,4132
InChI: InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3
InChIKey: JDLSRXWHEBFHNC-UHFFFAOYSA-N
SMILES: C(OCCCC)(=O)C1=CC=CC=C1NC1=CC=CC(C(F)(F)F)=C1
LogP: 6.92 · 6.92

화학적 성질

Light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationREACH registered substance: Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, butyl ester (EC: 614-050-1)

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

rtecs: DH8511000
HS 번호: 2922.49.2600

화학 및 산업

응용 분야

개요Butyl flufenamate is a topical, non-steroidal antiinflammatory agent indicated for the treatment of acute and chronic eczema; contact, seborrheic, and atopic dermatitis; and herpes zoster.

용도Ufenamate serves an ointment in treatment of facial hormone-dependent dermatitis, treatment of cephalic chronic eczema and neurodermatitis

공급사50 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

河北贞田食品添加剂有限公司0319-5925599 13373390591

연결된 노트

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