Lansoprazole Sulfide N-Oxide

HCID 11326133

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 163119-30-0
표준 SMILES: Cc1c(OCC(F)(F)F)cc[n+]([O-])c1CSc1nc2ccccc2[nH]1
InChIKey: LGJKGASGASPHLH-UHFFFAOYSA-N
분자식: C16H14F3N3O2S
평균 분자량: 369.4 g/mol
단동위원소 질량: 369.07588236

이름 및 식별자

우선 이름: Lansoprazole Sulfide N-Oxide
IUPAC: 2-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole
영어명: 2-[[[4-(2,2,2-Trifluoroethoxy)-3-Methyl-1-oxopyridin-2-yl]Methyl]sulfanyl]-1H-benziMidazole
분자식: C16H14F3N3O2S
분자량: 369.36

이름 및 동의어

Lansoprazole Sulfide N-Oxide163119-30-02-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazoleLansoprazole Pyridine N-Oxide2-[[[4-(2,2,2-Trifluoroethoxy)-3-methyl-1-oxopyridin-2-yl]methyl]sulfanyl]-1H-benzimidazole2-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine 1-oxide2-[(1H-1,3-BENZODIAZOL-2-YLSULFANYL)METHYL]-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-1-IUM-1-OLATELansoprazole Impurity K;<br>Lansoprazole Sulfide N-Oxide2-[[[3-Methyl-1-oxido-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazole; 1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-, N-oxide; 2-[[[4-(2,2,2-Trifluoroethoxy)-3-methyl-1-oxopyridin-2-yl]methyl]sulfanyl]-1H-benzimidazole; Lansoprazole Sulfide N-Oxide6B4SD5K6J4SCHEMBL4273847DTXSID60462488

이름 더 보기

N-Oxide sulphideCeftazidime Dimer Aansoprazole Impurity GLansoprazole Impurity 9Lansoprazole IMpurity-Sulfone (EP-IMpurity B)1-methyl-12-thioxobenzo[4',5']imidazo[2',1':2,3]imidazo[1,5-a] pyridin-2(12H)-one2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]Methyl]thio]-1H-benziMidazole N-Oxide

LGJKGASGASPHLH-UHFFFAOYSA-NH63401Lansoprazole Impurity K(Lansoprazole Sulfide N-Oxide)2-({[3-Methyl-1-oxo-4-(2,2,2-trifluoroethoxy)-1lambda~5~-pyridin-2-yl]methyl}sulfanyl)-1H-1,3-benzimidazole2-[[[3-Methyl-1-oxido-4-(2,2,2 -trifluoroethoxy)-2-pyridinyl]methyl]sulfanyl]-1H-benzimidazole

데이터베이스 식별자

CAS: 163119-30-0
PubChem CID: 11326133
DTXSID: DTXSID60462488
UNII: 6B4SD5K6J4

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 88.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 25
형식 전하: 0
복잡도: 443

물리화학적 성질

녹는점: 212 oC · >212oC (dec.)
끓는 점: 591.5 · 591.5±60.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 10.49 · 10.49±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C16H14F3N3O2S/c1-10-13(22(23)7-6-14(10)24-9-16(17,18)19)8-25-15-20-11-4-2-3-5-12(11)21-15/h2-7H,8-9H2,1H3,(H,20,21)
InChIKey: LGJKGASGASPHLH-UHFFFAOYSA-N
SMILES: C1(SCC2[N+]([O-])=CC=C(OCC(F)(F)F)C=2C)NC2=CC=CC=C2N=1

화학 및 산업

응용 분야

용도Used in the preparation of Lansoprazole and its metabolite and impurities.

공급사68 곳

上海策嵘生物科技有限公司[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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