기본 정보
- CAS
514-36-3- 표준 SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
SYWHXTATXSMDSB-GSLJADNHSA-N- 분자식
- C23H31FO6
- 평균 분자량
- 422.5 g/mol
- 단동위원소 질량
- 422.21046687
개요
Fludrocortisone acetate is an acetate ester resulting from the formal condensation of the primary hydroxy group of fludrocortisone with acetic acid. A synthetic corticosteroid, it has glucocorticoid actions about 10 times as potent as hydrocortisone, while its mineralocorticoid actions are over 100 times as potent. It is used in partial replacement therapy for primary and secondary adrenocortical insufficiency in Addison's disease and for the treatment of salt-losing adrenal hyperplasia. It is a tertiary alpha-hydroxy ketone, a mineralocorticoid, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, an acetate ester, a 3-oxo-Delta(4) steroid and a fluorinated steroid. It is functionally related to a fludrocortisone.
이름 및 식별자
- 우선 이름
- Fludrocortisone Acetate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 현지명
- 플루드로코르티손21-아세테이트
- 영어명
- Fludrocortisone acetate
- 분자식
- C23H31FO6
- 분자량
- 422.49
이름 및 동의어
FLUDROCORTISONE ACETATE514-36-3ScherofluronAlflorone acetateFlorinef acetateFludrocortisone 21-acetateCortef-FFluorocortisol acetateFluorocortisone acetateFluohydrocortisone acetate9alpha-Fluorohydrocortisone acetate9alpha-Fluorohydrocortisone 21-acetate
이름 더 보기
플루드로코르티손21-아세테이트플루드로코르티손아세테이트플루드로코르티손아세테이트플루드로코르티손21-아세테이트9-FLUOROHYDROCORTISONE ACETATE9αNSC 15186cortineffalfloroneacetate9-FLUOROCORTISOL ACETATE
V47IF0PVH4U 4845NSC-15186Fludrocortisoni acetasDTXSID20230629-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetateCHEBI:5102NSC15186
데이터베이스 식별자
- CAS
514-36-3
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 838
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Dermatologicals -> Corticosteroids, dermatological preparations
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section189.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 233 · 233-234°C
- 끓는 점
- 575.1 · 575.1±50.0 °C(Predicted)
- 밀도
- 1.0953 · 1.0953 (rough estimate)
- 굴절률
- 1.598 · 1.5980 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물에 거의 녹지 않으며 무수 에탄올에는 거의 녹지 않습니다.
- 산도 계수 (pKa)
- 12.06 · 12.06±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (95.2%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety InformationIMAP assessments - Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11.beta.)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (95.2%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Fludrocortisone acetate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
EPA Human Health Benchmarks for Pharmaceuticals
Fludrocortisone acetate
0.001
0.004
The usual dose is 0.1 mg of fludrocortisone acetate tablets daily, although dosage ranging from 0.1 mg three times a week to 0.2 mg daily has been employed. In the event transient hypertension develops as a consequence of therapy, the dose should be reduced to 0.05 mg daily.
Data used to generate the benchmarks include the following: Lowest Daily Dose (LDD): 0.043 mg/day, Lowest Therapeutic Dose (LTD): 0.0005 mg/kg-day, and Screening Dose: 0.0000002 mg/kg-day.
18-May-21
안전 데이터
화학 및 산업
응용 분야
개요Fludrocortisone acetate is the acetate form of the synthetic corticosteroid fludrocortisone, which is a mineralocorticoid receptor agonist. Fludrocortisone acetate (0.1-5 μg/animal) promotes sodium retention in rats in a dose-dependent manner with 37% of sodium excreted compared with control when used at a dose of 5 μg/animal. Formulations containing fludrocortisone acetate have been used in the treatment of Addison’s disease.
일반 설명Fludrocortisone acetate,21-acetyloxy-9-fluoro-11β,17-dihydroxypregn-4-ene-3,20-dione, 9α-fluorohydrocortisone (Florinef Acetate), isused only for the treatment of Addison disease and for inhibitionof endogenous adrenocortical secretions. It has up to about 800 times the MC activity of hydrocortisone and about 11 times the GC activity. Its potent activity stimulated the synthesis and study of the many fluorinated steroids. Although its great salt-retaining activity limits its use to Addison disease, it has sufficient GC activity that in some cases of the disease, additional GCs need not be prescribed.
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