기본 정보
- CAS
161973-10-0- 표준 SMILES
COc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]- InChIKey
KWORUUGOSLYAGD-YPPDDXJESA-N- 분자식
- C34H36MgN6O6S2
- 평균 분자량
- 713.1 g/mol
개요
Esomeprazole magnesium is a magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome. It has a role as an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor and an anti-ulcer drug. It contains an esomeprazole(1-).
이름 및 식별자
- 우선 이름
- Esomeprazole Magnesium
- IUPAC
- magnesium bis(5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide)
- 영어명
- Esomeprazole magnesium
- 분자식
- C34H36MgN6O6S2
- 분자량
- 713.12
이름 및 동의어
Esomeprazole magnesiumNexium 24hr925R0D7W1OCHEBI:50309Esomeprazole DrRefChem:55131Nexium 24HR ClearMinisEsomeprazole Magnesium DREsomeprazole Magnesium D/rDTXSID5044231DTXCID901618215Esomeprazole Magnesium Delayed-Release 20 mg mini
이름 더 보기
(T-4)-bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-κO]-1H-benzimidazolato-κN3]-magnesiumS-Form magnesium saltEsomeprazole magneslumEsomeprazole magnesium APIESOMEPRAZOLE MAGNESIUM/SODIUMESOMEPRAZOLE MAGNESIUM SAMPLENEXIUM(esomeprazolemagnesium)
Esomeprazole Magnesium Delayed-Release Capsules, 20 mgEsomeprazole Magnesium for delayed-release oral suspension161973-10-0R6DXU4WAY9Nexium(-)-Omeprazole magnesium(S)-Omeprazole magnesiummagnesium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
데이터베이스 식별자
- CAS
161973-10-0
물성
구조 계산 물성
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 453
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 169 °C · >169°C (dec.)
- 끓는 점
- 600 ° · 600°
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 미색부터 베이지까지
- BCS Class
- 3 · 3
- 안정성
- 흡습성
- InChI
- InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2
- InChIKey
- KWORUUGOSLYAGD-UHFFFAOYSA-N
- SMILES
- C(C1N=CC(C)=C(OC)C=1C)S1C2[N-]C3=CC(OC)=CC=C3N=2[Mg+2]2(O=S(CC3N=CC(C)=C(OC)C=3C)C3[N-]C4=CC(OC)=CC=C4N2=3)O=1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)
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
약리 정보
FDA Pharmacological Classification
ESOMEPRAZOLE DR
Proton Pump Inhibitors [MoA]; Proton Pump Inhibitor [EPC]; Cytochrome P450 2C19 Inhibitors [MoA]
ESOMEPRAZOLE MAGNESIUM
Cytochrome P450 2C19 Inhibitors [MoA]; Proton Pump Inhibitors [MoA]; Proton Pump Inhibitor [EPC]
ESOMEPRAZOLE MAGNESIUM DELAYED-RELEASE CAPSULES, 20 MG
Proton Pump Inhibitors [MoA]; Proton Pump Inhibitor [EPC]; Cytochrome P450 2C19 Inhibitors [MoA]
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.
응용 분야
용도Antiulcerative
일반 설명Esomeprazole magnesium,S-bis(5-rnethoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole-l-yl) magnesiumtrihydrate (Nexium), is the S-enantiomer ofomeprazole. The benzimidazole PPIs contain a chiral sulfuratom that form an enantiomeric pair that is stable andinsoluble under standard conditions. The S-isomer ofomeprazole has slightly greater PPI activity, and its intrinsicclearance is approximately three times lower thanthat of R-omeprazole (15 vs. 43μL/min). The lowerclearance of S-omeprazole is related to slower metabolicclearance by the CYP2C19 isozyme. Although Romeprazoleis primarily transformed to the 5-hydroxymetabolite, the S-isomer is metabolized by O-demethylationand sulfoxidation, which contribute little to intrinsicclearance.
상·하류 제품 정보
상류 원료
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