기본 정보
- CAS
112137-89-0- 표준 SMILES
CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O- InChIKey
CNWGPXZGIIOYDL-MKYGPDKMSA-N- 분자식
- C21H36O5
- 평균 분자량
- 368.5 g/mol
- 단동위원소 질량
- 368.25627424
개요
de-esterified metabolite of misoprostol
이름 및 식별자
- 우선 이름
- Misoprostol acid
- IUPAC
- 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
- 영어명
- Misoprostol Acid
- 분자식
- C21H36O5
- 분자량
- 368.51
이름 및 동의어
Misoprostol acid66792-31-212Z0SU967A15-Deoxy-16-hydroxy-16-methylprostaglandin E1SC-30695DTXSID601347869Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E)-RefChem:159066DTXCID601776608112137-89-0Misoprostol free acidMisoprostol Acid (10 mg in 1 mL Methyl Acetate)
이름 더 보기
8-iso Misoprostol acidMisoprostol Acid USP/EP/BPMisoprostol acid,racemic mixtureMisoprostol Acid, Technical Grade 65%(-15-Deoxy-(16RS)-16-hydroxy-16-methylprogestaglandin E(+-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDINE1(+/-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDIN E1
misoprostol (free acid form)SC 30695Carboprost Impurity 22MISOPROSTOLIC ACID7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acidMISOPROSTANOIC ACID7-((1R,2R,3R)-3-Hydroxy-2-((E)-4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl)heptanoic acidMisoprostol Acid (Mixture of Diastereomers)
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 473
물리화학적 성질
- 끓는 점
- 538.3 · 538.3±50.0 °C(Predicted)
- 밀도
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 노란색 점성 오일.
- 산도 계수 (pKa)
- 4.77 · 4.77±0.10(Predicted)
- 색상
- 옅은 노랑
- 안정성
- 온도에 민감함
- InChIKey
- CNWGPXZGIIOYDL-MKYGPDKMSA-N
- SMILES
- CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
화학적 성질
Pale Yellow Gel
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 2
- ridadr
- UN 2810 6.1/PG 3
- risk_code
- 45-60-61-25-36/37/38
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45-26
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요Misoprostol is a prostaglandin E1 analog with agonist activity mediated by EP2, EP3, and EP4 receptors. It has been shown to inhibit the formation of gastric lesions in rats (ED50 = 0.31 μg/kg), inhibit superoxide generation in human neutrophils (EC50 = 0.35 μM), and relax fetal rabbit ductus arteriosus (EC50 = 0.36 nM) in a concentration dependent manner. Misoprostol is commonly used in clinical medicine for the prevention of peptic ulcer disease. It has also been used in conjunction with mifepristone (RU-486; ) for the oral induction of first trimester abortion. Misoprostol contains a C-1 methyl ester and is readily absorbed and rapidly hydrolyzed in humans to the active free acid.
용도Misoprostol Acid is a prostaglandin E1 analog with agonist activity mediated by EP2, EP3, and EP4 receptors. It has been shown to inhibit the formation of gastric lesions in rats (ED50 = 0.31 μg/kg), inhibit superoxide generation in human neutrophils (EC50 = 0.35 μM), and relax fetal rabbit ductus arteriosus (EC50 = 0.36 nM) in a concentration dependent manner. Misoprostol is commonly used in clinical medicine for the prevention of peptic ulcer disease. It has also been used in conjunction with mifepristone (RU-486; ) for the oral induction of first trimester abortion. Misoprostol contains a C-1 methyl ester and is readily absorbed and rapidly hydrolyzed in humans to the active free acid.
공급사11 곳
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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