기본 정보
- CAS
22298-29-9- 표준 SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO- InChIKey
SOQJPQZCPBDOMF-YCUXZELOSA-N- 분자식
- C29H33FO6
- 평균 분자량
- 496.6 g/mol
- 단동위원소 질량
- 496.22611693
개요
Betamethasone benzoate is a 21-hydroxy steroid.
이름 및 식별자
- 우선 이름
- Betamethasone Benzoate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate
- 영어명
- BETAMETHASONE BENZOATE (200 MG)
- 분자식
- C35H41FO8
- 분자량
- 608.6936432
이름 및 동의어
BETAMETHASONE BENZOATEBetamethasone 17-benzoate22298-29-9UticortW 5975W-5975DTXSID2022670877K0XW47APregna-1,4-diene-3,20-dione, 17-(benzoyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,16beta)-RefChem:54525DTXCID502670244-897-9
이름 더 보기
17-Benzoate16-beta)-(11-betabetamethasonebenzoateNintedanib Impurity 155betamethasone17-benzoateBETAMETHASONE BENZOATE (200 MG)Betamethasone Benzoate (1067307)BETAMETHASONE BENZOATE USP(CRM STANDARD)9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate
Benisone[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoateMS 11129-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-benzoatePregna-1,4-diene-3,20-dione, 17-(benzoyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11.beta.,16.beta.)-(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-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 benzoateEuvadermFlurobate
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,030
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 225 · 225-228°
- 끓는 점
- 641 · 641.0±55.0 °C(Predicted)
- 밀도
- 1.1732 · 1.1732 (estimate)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 12.93 · 12.93±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H360 (33.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesRepr. 1B (33.3%)
안전 데이터
- wgk
- 1
- ridadr
- UN 2811 6.1 / PGII
- 독성
- LD50 scu-rat: 194 mg/kg TXAPA9 8,250,66
- HS 번호
- 2937220000
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
응용 분야
용도BETAMETHASONE BENZOATE (200 MG) is an analog of Betamethasone (B327000), a glucocorticoid used as an anti-inflammatory agent.
상·하류 제품 정보
상류 원료
공급사24 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
梯希爱（上海）化工贸易有限公司
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