기본 정보
- CAS
23930-37-2- 표준 SMILES
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
QRJOQYLXZPQQMX-FWROMSNXSA-N- 분자식
- C23H34O5
- 평균 분자량
- 390.5 g/mol
- 단동위원소 질량
- 390.24062418
개요
Acetic acid [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester is a corticosteroid hormone.
이름 및 식별자
- 우선 이름
- Alfadolone Acetate
- IUPAC
- [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 영어명
- 3alpha,21-dihydroxy-5alpha-pregnane-11,20-dione 21-acetate
- 분자식
- C23H34O5
- 분자량
- 390.51306
이름 및 동의어
Alfadolone acetateAlphadolone acetate23930-37-2DTXSID704544300TN4GS00SEINECS 245-942-5ALFADOLONE ACETATE [MI][2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateDTXCID5025443ALFADOLONE ACETATE [MART.]ALFADOLONE ACETATE [WHO-DD](3-alpha,5-alpha)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione
이름 더 보기
GR 2GR-2GR2R-140GR-2/1574Aalfadolone acetateAlphadolone 21-Acetate21-Acetoxy-3α-hydroxy-5α-pregnane-11,20-dione5α-PREGNAN-3α, 21-DIOL-11, 20-DIONE 21-ACETATE
5-alpha-Pregnane-11,20-dione, 3-alpha,21-dihydroxy-, 21-acetatePregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3.alpha.,5.alpha.)-ALFADOLONE ACETATE (MART.)Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3-alpha,5-alpha)-(2-((3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2-oxoethyl) acetateRefChem:553952Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3alpha,5alpha)-3alpha,21-Dihydroxy-5alpha-pregnane-11,20-dione 21-acetate
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 686
물리화학적 성질
- 녹는점
- 175 · 175-177°
- 끓는 점
- 523.6 · 523.6±50.0 °C(Predicted)
- 밀도
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.04 · 15.04±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationAlphadolone acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.
Endogenous compounds or drugs that affect neuronal excitability through modulation of specific ionotropic receptors (e.g., GABA-A RECEPTORS). Endogenous neurosteroids are steroid hormones de novo synthesized by neurons and glial cells from steroid metabolite precursors (e.g., PREGNENOLONE).
공급사14 곳
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
广州旺晟生物科技有限公司020-87317062 13048089691 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
Hunan Yuanye Pharmaceutical Co., Ltd.+86-19907491289 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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