(S)-3-페닐-3-(4-트리플루오로메틸-페녹시)-프로필라민

Seproxetine

HCID 3058751CAS 126924-38-7

기본 정보

표준 SMILES: NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIKey: WIQRCHMSJFFONW-HNNXBMFYSA-N
분자식: C16H16F3NO
평균 분자량: 295.3 g/mol
단동위원소 질량: 295.11839879

개요

Seproxetine is also known as (S)-norfluoxetine. It is a selective serotonin reuptake inhibitor (SSRI). It is an active metabolite of fluoxetine. Seproxetine was being investigated by Eli Lilly as an antidepressant but development was never completed and the drug was never marketed.

이름 및 식별자

우선 이름: Seproxetine
IUPAC: (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
현지명: (S)-3-페닐-3-(4-트리플루오로메틸-페녹시)-프로필라민
영어명: (S)-Norfluoxetine
분자식: C16H16F3NO
분자량: 295.2995496

이름 및 동의어

(S)-Norfluoxetine126924-38-7SEPROXETINESeproxetine [INN]Norfluoxetine, (s)-seproxetinaUNII-25CO3X0R3125CO3X0R31SEPROXETINE [WHO-DD]DTXSID001019529NFL_296.1257_14.5BENZENEPROPANAMINE, .GAMMA.-(4-(TRIFLUOROMETHYL)PHENOXY)-, (.GAMMA.S)-

이름 더 보기

(S)-3-페닐-3-(4-트리플루오로메틸-페녹시)-프로필라민(S)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE(3S)-3-Phenyl-3-[4-(Trifluoromethyl)Phenoxy]-1-PropanamineBenzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]-, (γS)-1-[(1S)-3-Amino-1-phenylpropoxy]-4-(trifluoromethyl)benzene

seproxetinumBenzenepropanamine, gamma-[4-(trifluoromethyl)phenoxy]-, (gammaS)-Benzenepropanamine, .gamma.-[4-(trifluoromethyl)phenoxy]-, (.gamma.S)-BENZENEPROPANAMINE, GAMMA-(4-(TRIFLUOROMETHYL)PHENOXY)-, (GAMMAS)-RefChem:182424DTXCID901477489(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine(S)-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine

데이터베이스 식별자

CAS: 126924-38-7
PubChem CID: 3058751
DTXSID: DTXSID001019529
ChEMBL: CHEMBL465123
UNII: 25CO3X0R31
Nikkaji: J511.686D

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 21
형식 전하: 0
복잡도: 294

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 381.1 · 381.1±42.0 °C(Predicted)
밀도: 1.204 · 1.204±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 9.05 · 9.05±0.13(Predicted)
색상: 투명 무색 ~ 담황색
EPA: 4 · Benzenepropanamine, .gamma.-[4-(trifluoromethyl)phenoxy]-, (.gamma.S)- (126924-38-7)

화학적 성질

Pale Yellow Oil

화학 및 산업

약리 정보

Mechanism of Action · 1건

Biological Half-Life4-16 days

Metabolism/Metabolites(s)-Norfluoxetine is a known human metabolite of (s)-fluoxetine.

응용 분야

용도(S)-Norfluoxetine is a labelled Fluoxetine (F597100) derivative,it is a stereoselective inhibitorof serotonin re-uptake and phosphodiesterase. It is used as a potential antidepressants.

상·하류 제품 정보

상류 원료

Benzenepropanenitrile, β-[4-(trifluoromethyl)phenoxy]-, (βS)-(S)-3-아미노-1-페닐-프로판-1-OL (S)-노르플루옥세틴 플루오르벤조트리폴로라이드 p-클로로벤조트리플루오라이드

하류 제품

(R)-Norfluoxetine

공급사10 곳

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

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

凯试（上海）科技有限公司021-50135380 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

연결된 노트

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