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기본 정보
- CAS
981-34-0- 표준 SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO- InChIKey
GBDXNHBVYAMODG-DEGNENOVSA-N- 분자식
- C22H28O5
- 평균 분자량
- 372.461 g/mol
- 단동위원소 질량
- 372.193674
이름 및 식별자
- 우선 이름
- Betamethasone 9,11-epoxide
- IUPAC
- 17,21-Dihydroxy-16beta-methyl-9beta,11beta-9,11-epoxypregna-1,4-diene-3,20-dione
- 영어명
- 9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione
- 분자식
- C22H28O5
- 분자량
- 372.45
이름 및 동의어
DB1116-BETA METHYL EPOXIDE9beta,11beta-epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione(9β,11β,16β)-Einecs 213-563-416β Methyl Epoxide9beta,11beta-Epoxy-111beta-Epoxy-17alphaBetamethasone epoxide16-beta Methyl Epoxid
데이터베이스 식별자
- CAS
981-34-0- PubChem CID
- 101933
- DTXSID
DTXSID601020538- UNII
- M9AY9BSI41
- EC Number
- 213-563-4
- Nikkaji
- J298.581K
물성
물리화학적 성질
- 녹는점
- 210 · 210-220 ºC
- 끓는 점
- 564.9 · 564.9±50.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 증기압
- 0 · 0-357.304Pa at 25℃
- 저장 조건
- Refrigerator
- 용해도
- Chloroform (Slightly, Heated), Dioxane (Slightly, Heated), DMSO (Slightly, Heated)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.56 · 12.56±0.70(Predicted)
- 색상
- 흰색~밝은 베이지
- 주요 응용
- 소분자 약용
- InChIKey
- GBDXNHBVYAMODG-OBDZOPJXNA-N
- SMILES
- C[C@]12C=CC(=O)C=C1CC[C@@]1([H])[C@]3([H])C[C@H](C)[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H]3O[C@]213 |&1:1,10,12,15,17,23,26,28,r|
화학적 성질
Off-White Solid
화학 및 산업
응용 분야
개요9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione (Betamethasone EP Impurity E) is a metabolite of Mometasone Furoate (M490000) which is a tropical corticosteroid used as an anti-inflammatory. Low solubility in most solvent. 9,11β-epoxysteroid compounds can be prepared by 9-position fluorination to obtain dexamethasone. By modifying its 3-bit, 6-bit, 16-bit, and 21-bit, a series of drugs can be prepared.
제조 방법
Add sodium sulfite and sodium hydroxide to water, stir to dissolve, and then add methanol. The raw material was added for hydrolysis reaction. After the reaction for 3h, glacial acetic acid was added to adjust the pH=6~8. The water was added to the solution and crystallize at 0 ℃. Finally, 9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione was obtained after purification.
공급사100 곳
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州福屿医药科技有限公司0571-8535-0733 19357571632 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
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