기본 정보
- CAS
2367-73-9- 표준 SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1- InChIKey
YNDXUCZADRHECN-MYGPYWQASA-N- 분자식
- C25H35FO8S
- 평균 분자량
- 514.6 g/mol
- 단동위원소 질량
- 514.20366741
이름 및 식별자
- 우선 이름
- 9-Fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-((methylsulfonyl)oxy)pregn-4-ene-3,20-dione, (11beta,16alpha)-
- IUPAC
- [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] methanesulfonate
- 영어명
- Triamcinolone Impurity 1
- 분자식
- C25H35FO8S
- 분자량
- 514.6
이름 및 동의어
2367-73-9UNII-MI094O0MOFMI094O0MOF1,2-Dihydrotriamcinolone-16,17-acetonide-21-mesylate9-Fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-((methylsulfonyl)oxy)pregn-4-ene-3,20-dione, (11beta,16alpha)-[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] methanesulfonate(11beta,16alpha)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-[(methylsulfonyl)oxy]-pregn-4-ene-3,20-dioneSCHEMBL11867392Triamcinolone Acetonide Impurity N1Pregn-4-ene-3,20-dione, 9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-((methylsulfonyl)oxy)-, (11beta,16alpha)-Pregn-4-ene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-methanesulfonateQ27284039
이름 더 보기
Creatinine Impurity 1Triamcinolone Impurity 1Triamcinolone Acetonide Impurity 21Triamcinolone acetonide 21-methanesulfonatePregn-4-ene-3,20-dione, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-[(methylsulfonyl)oxy]-, (11β,16α)- (9CI)
(11beta,16alpha)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-((methylsulfonyl)oxy)pregn-4-ene-3,20-dione2-((6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-4-oxo-2,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl methanesulfonate9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-((METHYLSULFONYL)OXY)PREGN-4-ENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-((METHYLSULFONYL)OXY)-, (11.BETA.,16.ALPHA.)-PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-METHANESULFONATE
데이터베이스 식별자
- CAS
2367-73-9- PubChem CID
- 22792160
- UNII
- MI094O0MOF
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 녹는점
- 225 · 225-227 °C (decomp)
- 끓는 점
- 657 · 657.0±55.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.18 · 13.18±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
화학 및 산업
응용 분야
용도1,2-Dihydrotriamcinolone-16,17-acetonide-21-mesylate is an impurity of Triamcinolone Acetonide (T767165), a glucocorticoid used to treat many skin conditions and allergies.
공급사12 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
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