기본 정보
- CAS
784143-42-6- 표준 SMILES
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C)c2c1- InChIKey
WNUVTRNLJLQRDR-UHFFFAOYSA-N- 분자식
- C18H21N3O3S
- 평균 분자량
- 359.4 g/mol
- 단동위원소 질량
- 359.13036271
이름 및 식별자
- 우선 이름
- N-Methyl omeprazole
- IUPAC
- 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
- 현지명
- EsoMeprazole관련물질H193/61
- 영어명
- EsoMeprazole related substance H193/61
- 분자식
- C18H21N3O3S
- 분자량
- 359.44
이름 및 동의어
784143-42-636NGW5T64G6-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-1H-benzimidazole6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole1H-Benzimidazole, 6-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-1H-benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-RefChem:202165N-Methyl omeprazole6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole1-N-Methyl Omeprazole6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazoleOmeprazole Impurity?21
이름 더 보기
EsoMeprazole관련물질H193/61N3-Methyl OmeprazoleOmeprazole Impurity21Esomeprazole Impurity 48Omeprazole Impurity H193Esomeprazole Impurity H193Esomeprazole Impurities534Omeprazole N-Methyl ImpurityN-Methyl Omeprazole Impurity 2Esomeprazole Impuritie H193/61Esomeprazole Sodium CP Impurity Ⅲ
UNII-36NGW5T64GSCHEMBL12021142(S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazoleDS-015879CS-01663876-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1-methyl-benzimidazole6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole? (Esomeprazole Impurity)
데이터베이스 식별자
- CAS
784143-42-6- PubChem CID
- 643281
- UNII
- 36NGW5T64G
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 85.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 480
물리화학적 성질
- 끓는 점
- 585.8 · 585.8±60.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Storage temp. -20°C
- 산도 계수 (pKa)
- 4.73 · 4.73±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도1-N-Methyl Omeprazole is an impurity from the synthesis of Omeprazole (O635000). Omeprazole covalently binds to proton pump. It inhibits gastric secretion and it is used as an anttiulcerative.
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