기본 정보
- 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(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]- InChIKey
PLCQGRYPOISRTQ-LWCNAHDDSA-L- 분자식
- C22H28FNa2O8P
- 평균 분자량
- 516.4 g/mol
- 단동위원소 질량
- 516.13012157
이름 및 식별자
- 우선 이름
- Betamethasone Sodium Phosphate
- IUPAC
- disodium;[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
- 영어명
- Betamethasone 21-phosphate disodium
- 분자식
- C22H28FNa2O8P
- 분자량
- 516.4
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
151-73-5- PubChem CID
- 65478
- DTXSID
DTXSID8047137- ChEMBL
CHEMBL1200762- ChEBI
CHEBI:3078- UNII
- 7BK02SCL3W
- EC Number
- 205-797-0
- Nikkaji
- J7.409H
물성
구조 계산 물성
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 961
물리화학적 성질
- 녹는점
- 206 · 206-211°C
- 저장 조건
- room temp
- 용해도
- 물에 잘 녹고, 에탄올(96%)에 약간 녹으며, 염화메틸렌에는 거의 녹지 않습니다.
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 수소이온지수(pH)
- 7.5 · 7.5~9.0(5g/l, 25℃)
- 수용성
- 50 mg/mL, · water: 50mg/mL, clear to very slightly hazy, faintly yellow
- Merck
- 14 · 14,1180
- 안정성
- 흡습성
- InChIKey
- PLCQGRYPOISRTQ-LWCNAHDDSA-L
- SMILES
- [C@@]12([H])C[C@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@]1(F)[C@@]3(C)C=CC(=O)C=C3CC[C@@]21[H].[Na+].[Na+] |&1:0,3,5,15,18,20,22,32,r|
- EPA
- .beta.-Methasone disodium phosphate (151-73-5)
화학적 성질
White or almost white powder, very hygroscopic.
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (44.2%): Harmful if swallowed [Warning Acute toxicity, oral];H330 (54.9%): Fatal if inhaled [Danger Acute toxicity, inhalation];H360 (42.5%): May damage fertility or the unborn child [Danger Reproductive toxicity];H360D (15%): May damage the unborn child [Danger Reproductive toxicity];H372 (48.7%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H373 (12.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H410 (46.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P260, P264, P270, P271, P273, P280, P284, P301+P317, P304+P340, P316, P318, P319, P320, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Other Safety Information
IMAP assessments - Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11.beta.,16.beta.)-: Environment tier I assessment;IMAP assessments - Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11.beta.,16.beta.)-: Human health tier I assessment
규제 정보
안전 데이터
- wgk
- 3
- rtecs
- TU4056500
- 독성
- LD50 orl-rat: 1877 mg/kg DRUGAY -,1075,90
- HS 번호
- 29372290
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 OralRepr. 1BSTOT RE 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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.
용도 및 제조
공급사50 곳
추가 설명
정의ChEBI: An organic sodium salt that is the disodium salt of betamethasone phosphate.
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