기본 정보
- CAS
73590-60-0- 표준 SMILES
COc1c(C)cnc(CS(=O)c2nc3ccccc3[nH]2)c1C- InChIKey
JDVPIZHFGBVEBT-UHFFFAOYSA-N- 분자식
- C16H17N3O2S
- 평균 분자량
- 315.4 g/mol
- 단동위원소 질량
- 315.10414797
이름 및 식별자
- 우선 이름
- 2-[[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
- IUPAC
- 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
- 영어명
- 2-[[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
- 분자식
- C16H17N3O2S
- 분자량
- 315.39
이름 및 동의어
73590-60-02-[[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole2-(((4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazoleRefChem:2490784'-Desmethoxy OmeprazoleOmeprazole Impurity SCHEMBL101842-(((4-Methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole2-(4-Methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole2-[[(4-Methoxy-3,5-dimethylpyridin-2-yl)-methyl]sulphinyl]-1H-benzimidazoleSCHEMBL5348112SCHEMBL10513903
이름 더 보기
Esomeprazole Impurity 130Esomeprazole Sodium Impurity 895-Methoxy-2-(4-methoxy-3,5-dimethyl2-[[(4-Methoxy-3,5-dimethylpyridin-1H-Benzimidazole, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-
SCHEMBL10513909SCHEMBL19975113JDVPIZHFGBVEBT-UHFFFAOYSA-NDTXSID101148345BDBM50009026DB-2924442-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-benzimidazole2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 87.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 409
물리화학적 성질
- 끓는 점
- 573.6 · 573.6±60.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.58 · 9.58±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
화학 및 산업
응용 분야
용도4''-Desmethoxy Omeprazole is one of two impurities in the synthesis of Esomeprazole, an anti-ulcerative drug for treatment of acid-related diseases.
상·하류 제품 정보
상류 원료
공급사25 곳
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武汉布林科技有限公司3456065315 13260619011 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
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