기본 정보
- CAS
56-47-3- 표준 SMILES
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
VPGRYOFKCNULNK-ACXQXYJUSA-N- 분자식
- C23H32O4
- 평균 분자량
- 372.5 g/mol
- 단동위원소 질량
- 372.2300595
개요
Deoxycorticosterone acetate is a corticosteroid hormone.
이름 및 식별자
- 우선 이름
- Deoxycorticosterone acetate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 영어명
- Deoxycorticosterone acetate
- 분자식
- C23H32O4
- 분자량
- 372.5
이름 및 동의어
Deoxycorticosterone acetate56-47-3DESOXYCORTICOSTERONE ACETATEDOCAPercotolCortigen11-Deoxycorticosterone acetateDecorton21-Acetoxypregn-4-ene-3,20-dioneDesoxycorticosterone-21-acetateDTXSID60228946E0A168OB8
이름 더 보기
DESOXYCORTONE ACETATEDOAC3,20-Dioxopregn-4-en-21-yl acetatedoxoarcortsteraqcortateocriten
NSC-9567DTXCID102894Desoxycorticosterone acetate (USP)Desoxycorticosterone acetate [USP]DOC 21 acetateDOC-21-acetateAcetate, DesoxycortoneDeoxycorticosterone 21 acetate
데이터베이스 식별자
- CAS
56-47-3- PubChem CID
- 5952
- DTXSID
DTXSID6022894- ChEMBL
CHEMBL1200542- ChEBI
CHEBI:34671- UNII
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 60.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 707
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
196.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
193.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
197.1 Ų [M+H]+
물리화학적 성질
- 녹는점
- 157 °C · 157°C
- 끓는 점
- 421.94 °C · 421.94°C (rough estimate)
- 밀도
- 1.0415 · 1.0415 (rough estimate)
- 굴절률
- 175 ° · 175 ° (C=1, Dioxane)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 2 O: · H2O: 불용성
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- synthetic (organic)
- 수용성
- 4 mg/L · 4mg/L(25℃)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H360 (96%): 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 25 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 CategoriesRepr. 1A (96%)
안전 데이터
- wgk
- 3
- rtecs
- HG0525000
- ridadr
- UN 2811
- HS 번호
- 2937290000
- safety_code
- 22-24/25
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-00157
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
A group of CORTICOSTEROIDS primarily associated with water and electrolyte balance. This is accomplished through the effect on ION TRANSPORT in renal tubules, resulting in retention of sodium and loss of potassium. Mineralocorticoid secretion is itself regulated by PLASMA VOLUME, serum potassium, and ANGIOTENSIN II.
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
용도Deoxycorticosterone acetate has been used to induce hypertensive pregnancy. It has also been used to investigate the effect of low epicatechin dosing on the cardiovascular function of deoxycorticosterone acetate (DOCA)-salt hypertensive rats.
일반 설명Deoxycorticosterone acetate is an endogenous neurosteroid found in brain and peripheral circulation, which is produced by progesterone. It is both a mineralocorticoid and a glucocorticoid. It is used to treat adrenocortical insufficiency or Addison′s disease. Deoxycorticosterone acetate improves insulin sensitivity. It acts as a precursor to glucocorticoid corticosterone and the GABAergic neuroactive steroid (3α,5α)-3,21-dihydroxypregnan-20-one.
상·하류 제품 정보
상류 원료
관련 반응
1건
화합물 노트
불러오는 중…