CAS 123375-94-0 4-(bis(4-Fluorophenyl)methyl)-1-cinnamylpiperazine 1-Oxide (HCID 178956010)

기본 정보

CAS: 123375-94-0
표준 SMILES: [O-][N+]1(C/C=C/c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey: CFOFJASKAOBSRJ-QPJJXVBHSA-N
분자식: C26H26F2N2O
평균 분자량: 420.5 g/mol

이름 및 식별자

우선 이름: 4-(bis(4-Fluorophenyl)methyl)-1-cinnamylpiperazine 1-Oxide
IUPAC: 4-[bis(4-fluorophenyl)methyl]-1-oxido-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium
영어명: Flunarizine N-oxide dihydrochloride
분자식: C26H26F2N2O
분자량: 420.5

이름 및 동의어

123375-94-0Flunarizine N-Oxide Dihydrochloride4-(bis(4-Fluorophenyl)methyl)-1-cinnamylpiperazine 1-Oxide123375-94-0(free base)Flunarizine N-OxideFlunarizine Impurity N14-(bis(4-fluorophenyl)methyl)-1-cinnamylpiperazine 1-oxide dihydrochloridePiperazine, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-, 4-oxide, (E)- (9CI)Flunarizine Impurity 1Flunarizine Impurity G4-(Bis(4-fluorophenyl)methyl)-1-cinnamylpiperazine 1-oxide (Flunarizine Impurity)

데이터베이스 식별자

CAS: 123375-94-0
EC Number: 935-381-0
Nikkaji: J2.150.207C

물성

구조 계산 물성

XLogP: 5
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 31
형식 전하: 0
복잡도: 534

물리화학적 성질

산도 계수 (pKa): 5.09 · 5.09±0.20(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

화학 및 산업

응용 분야

용도4-(bis(4-Fluorophenyl)methyl)-1-cinnamylpiperazine 1-oxide is used in the simulation of phase I metabolic reactions of selected calcium channel blockers by human liver microsomes and photochemical methods with the use of Q-TOF LC/MS

공급사31 곳

天津始加生物医药科技有限公司15022261580 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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