기본 정보
- CAS
313640-86-7- 표준 SMILES
Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1.Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1.O.O.O- InChIKey
XTQWZVSRVXCIGB-BBBDYAHLSA-N- 분자식
- C32H34F6N6O7S2
- 평균 분자량
- 792.8 g/mol
- 단동위원소 질량
- 792.18345875
개요
See also: Dexlansoprazole (has active moiety).
이름 및 식별자
- 우선 이름
- Dexlansoprazole Sesquihydrate
- IUPAC
- bis(2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole);trihydrate
- 영어명
- 1H-Benzimidazole, 2-[(R)-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, hydrate (2:3)
- 분자식
- C16H16F3N3O3S
- 분자량
- 387.38
이름 및 동의어
Dexlansoprazole sesquihydrateHS2S9VK3NH313640-86-7DTXSID50185290RefChem:132393DTXCID60107781UNII-HS2S9VK3NHXTQWZVSRVXCIGB-BBBDYAHLSA-NDexlansoprazole sesquihydrate [WHO-DD]D12816Q27280070(R)-2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole sesquihydrate
이름 더 보기
1H-Benzimidazole, 2-[(R)-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, hydrate (2:3)
1H-BENZIMIDAZOLE, 2-((R)-((3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL)METHYL)SULFINYL)-, HYDRATE (2:3)2-{(R)-[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzimidazole--water (2/3)
데이터베이스 식별자
- CAS
313640-86-7- PubChem CID
- 71587692
- DTXSID
DTXSID50185290- UNII
- HS2S9VK3NH
물성
구조 계산 물성
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 480
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Compounds that inhibit H(+)-K(+)-EXCHANGING ATPASE. They are used as ANTI-ULCER AGENTS and sometimes in place of HISTAMINE H2 ANTAGONISTS for GASTROESOPHAGEAL REFLUX.
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