기본 정보
- CAS
5534-18-9- 표준 SMILES
CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C- InChIKey
OHYGPBKGZGRQKT-XGQKBEPLSA-N- 분자식
- C25H33ClO6
- 평균 분자량
- 465 g/mol
- 단동위원소 질량
- 464.1965665
개요
An ester of beclomethasone.
이름 및 식별자
- 우선 이름
- Beclomethasone 17-Monopropionate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- 영어명
- Beclomethasone 17-propionate
- 분자식
- C25H33ClO6
- 분자량
- 464.98
이름 및 동의어
Beclomethasone 17-Propionate5534-18-9Beclomethasone 17-monopropionate17-BMPBeclomethasone-17-monopropionate5BGA9FD55HDTXSID20203899RefChem:58390DTXCID00126390(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl propanoate226-888-19-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate
이름 더 보기
Beclomethasone Impurity 2Beclometasone Impurity 15Beclomethasone EP Impurity HBECLOMETHASONE 17-MONO PROPIOTED5-Beclomethasone 17-Propionate9-Chloro-11beta,21-dihydroxy-16betaBeclomethasone Propionate Impurity H
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionateUNII-5BGA9FD55H9-Chloro-11beta,21-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-17-yl Propanoate (Beclometasone 17-Propionate)Beclomethasone-17-monopropionate;17-BMPEINECS 226-888-1Beclomethasone dipropionate EP Impurity HBeclometasone 17-Propionate
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 925
물리화학적 성질
- 녹는점
- 124 · 124-126C
- 끓는 점
- 608.9 · 608.9±55.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 100 mg/mL · DMSO: 100 mg/mL (215.06 mM)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.98 · 12.98±0.10(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChIKey
- OHYGPBKGZGRQKT-MVAAQJHONA-N
- SMILES
- C1(=O)C=C2[C@](C)(C=C1)C1(Cl)[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](OC(=O)CC)(C(=O)CO)[C@@H](C)C3)CC2 |&1:4,10,12,14,16,19,29,r|
화학적 성질
Light Yellow Solid
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]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 4 (100%)
안전 데이터
- HS 번호
- 29162090
화학 및 산업
응용 분야
개요Beclomethasone 17-propionate is a glucocorticoid receptor agonist and an active metabolite of the glucocorticoid prodrug beclomethasone dipropionate. It can effectively inhibit cytokine production in lung macrophages of chronic obstructive pulmonary disease (COPD) and can be used in the study of diseases related to respiratory inflammation.
용도Active metabolite of Beclomethasone Dipropionate (BDP).
공급사73 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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