1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-
기본 정보
- CAS
117976-94-0- 표준 SMILES
Cc1c(OCCCO)ccnc1CS(=O)c1nc2ccccc2[nH]1- InChIKey
OBQCUJTXRBUDMO-UHFFFAOYSA-N- 분자식
- C17H19N3O3S
- 평균 분자량
- 345.4 g/mol
- 단동위원소 질량
- 345.11471265
이름 및 식별자
- 우선 이름
- 1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-
- IUPAC
- 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridinyl]oxy]propan-1-ol
- 영어명
- 1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-
- 분자식
- C17H19N3O3S
- 분자량
- 345.42
이름 및 동의어
117976-94-0Desmethyl rabeprazole1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-UNII-I58UIQ1OYKI58UIQ1OYK3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylpyridin-4-yl]oxypropan-1-ol3-((2-(((1H-Benzo[d]imidazol-2-yl)sulfinyl)methyl)-3-methylpyridin-4-yl)oxy)propan-1-ol1-Propanol, 3-((2-((1H-benzimidazol-2-ylsulfinyl)methyl)-3-methyl-4-pyridinyl)oxy)-Rabeprazole Impurity 27Rabeprazole Impurity 31Rabeprazole Impurity 31SCHEMBL6582664
이름 더 보기
Racemic O-Desmethyl Rabeprazolerac-O-Desmethyl Rabeprazole ImpurityRacemic-O-Desmethyl Rabeprazole Impurity4-Isoxazolecarboxylicacid,5-hydroxy-4-methyl-,ethylester3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-1-Propanol
DTXSID90432674OBQCUJTXRBUDMO-UHFFFAOYSA-NAKOS015842448CS-0166559F93954Q272804622-[{4-(3-hydroxypropoxy)-3-methylpyridine-2-yl}methylsulfinyl]-1H-benzimidazole3-({2-[(1H-1,3-Benzimidazole-2-sulfinyl)methyl]-3-methylpyridin-4-yl}oxy)propan-1-ol
데이터베이스 식별자
- CAS
117976-94-0- PubChem CID
- 9906180
- DTXSID
DTXSID90432674- UNII
- I58UIQ1OYK
- Nikkaji
- J621.855E
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 426
물리화학적 성질
- 끓는 점
- 635 · 635.0±65.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.57 · 9.57±0.10(Predicted)
관련 반응
2건
화합물 노트
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