기본 정보
- CAS
116817-27-7- 표준 SMILES
CNCCC(Oc1cccc2ccccc12)c1ccsc1- InChIKey
GMHDOCXPDYDKOR-UHFFFAOYSA-N- 분자식
- C18H19NOS
- 평균 분자량
- 297.4 g/mol
이름 및 식별자
- 우선 이름
- 1-(3-Thienyl)-3-(methylamino)propyl 1-naphthyl ether
- IUPAC
- N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine
- 영어명
- (S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine
- 분자식
- C18H19NOS
- 분자량
- 297.42
이름 및 동의어
116817-27-7rac Duloxetine 3-Thiophene Isomer1-(3-Thienyl)-3-(methylamino)propyl 1-naphthyl etherCHEMBL142028N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amineN-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine3-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, (gammaS)rac Duloxetine 3-Thiophene Isomer (DISCONTINUED, Offer D746280)(S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine; USP Duloxetine Related Compound F;Duloxetine Impurity EZU4T2L8RS4Rac-Duloxetine EP Impurity F
이름 더 보기
Duloxetine EP Imp FUSP Duloxetine Related CompoundUSP Duloxetine Related Compound FDuloxetine Racemate 3-Thiophene IsomerDuloxetine EP Impurity F/Duloxetine Impurity 43-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-3-amine HCl(S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine
methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propyl]amineSCHEMBL3967638REA81727BDBM501366833-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-N-Methyl-3-(1-naphthyloxy)-3-(3-thienyl)-1-propanamineN-Methyl-gamma-(1-naphthalenyloxy)-3-thiophenepropanamineMethyl-[3-(naphthalen-1-yloxy)-3-thiophen-3-yl-propyl]-amine
데이터베이스 식별자
- CAS
116817-27-7- ChEMBL
CHEMBL142028- UNII
- ZU4T2L8RS4
- Nikkaji
- J2.038.378J
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 49.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 312
물리화학적 성질
- 끓는 점
- 466.2 · 466.2±40.0 °C(Predicted)
- 밀도
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 10.12 · 10.12±0.10(Predicted)
- 색상
- 무색~연황색
화학 및 산업
응용 분야
용도rac Duloxetine 3-Thiophene Isomer Hydrochloride is an isomeric impurity of the antidepressant Duloxetine (D721000).
공급사12 곳
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