기본 정보
- CAS
80486-69-7- 표준 SMILES
CCC(=O)O[C@]1(C(=O)SCCl)[C@H](C)C[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
MVLBCBPGBUAVJQ-ZHLGSTKJSA-N- 분자식
- C25H31ClF2O5S
- 평균 분자량
- 517 g/mol
- 단동위원소 질량
- 516.1548793
이름 및 식별자
- 우선 이름
- (8xi)-17beta-{[(Chloromethyl)sulfanyl]carbonyl}-6alpha,9-difluoro-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17alpha-yl propanoate
- IUPAC
- [(6S,9R,10S,11S,13S,14S,16R,17R)-17-(chloromethylsulfanylcarbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- 영어명
- Cloticasone propionate
- 분자식
- C25H31ClF2O5S
- 분자량
- 517.03
이름 및 동의어
SCHEMBL13773292DTXSID901001276(8xi)-17beta-{[(Chloromethyl)sulfanyl]carbonyl}-6alpha,9-difluoro-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17alpha-yl propanoate17-{[(Chloromethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propanoateChloro Fluticasone PropionateFluticasone Chloropropionic acidFluticasone propionate Impurity LFluticasone Propionate Chloro Analog5-Chloromethyl 6a,9a-Difluoro-11-hydroxy-16a-methyl-3-oxo-17a-(propionyloxy)-androsta-1,4-diene-17-carbothioateAndrosta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(chloromethyl) ester, (6α,11β,16α,17α)-Chloro Fluticasone Propionate/(6α.,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic Acid S-(Chloromethyl) Ester(6S,8S,9R,10S,11S,13S,14S,16R,17R)-17-(((chloromethyl)thio)carbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 986
물리화학적 성질
- 끓는 점
- 583.9 · 583.9±50.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 12.53 · 12.53±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChIKey
- MVLBCBPGBUAVJQ-KENGUEFRNA-N
- SMILES
- O([C@@]1([C@@H](C[C@@]2([H])[C@]3([H])C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C)C(=O)SCCl)C(=O)CC |&1:1,2,4,6,9,17,19,21,24,r|
화학적 성질
Off-White Solid
화학 및 산업
상·하류 제품 정보
하류 제품
공급사24 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
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