기본 정보
- CAS
55461-42-2- 표준 SMILES
COc1c(C(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)cc2ccccc2c1Cc1c(OC)c(C(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)cc2ccccc12- InChIKey
BVCDTHYWRLBGTG-YIVOTWLUSA-N- 분자식
- C73H78F2O16
- 평균 분자량
- 1,249.4 g/mol
- 단동위원소 질량
- 1,248.52579272
개요
structure
이름 및 식별자
- 우선 이름
- Flupamesone
- 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]icosa-14,17-dien-8-yl]-2-oxoethyl] 4-[[3-[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]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyl-2-methoxynaphthalen-1-yl]methyl]-3-methoxynaphthalene-2-carboxylate
이름 및 동의어
FlupamesoneFlutenal8Q5FK6P4BCDTXSID301098978J22.279H4,4'-Methylene-bis((9alpha-fluoro-11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxy-1,4-pregnadiene-3,20-dione)3-methoxy-2-naphthoate)Pregna-1,4-diene-3,20-dione, 21,21'-(methylenebis((2-methoxy-1,3-naphthalenediyl)carbonyloxy))bis(9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-(11'beta,16'alpha)-RefChem:141003DTXCID201767522259-650-04,4'-Methylene-bis(9 alpha-fluor-11 beta, 21-dihydroxy-16 alpha,17 alpha-iso-propylidenedioxy-1,4-pregnadiene-3,20 dione)3-methoxy-2-naphthoatel55461-42-2
이름 더 보기
UNII-8Q5FK6P4BCEINECS 259-650-0FLUPAMESONE [WHO-DD]Q27270884TRIAMCINOLONE ACETONIDE 4,4'-METHYLENEBIS(3-METHOXY-2-NAPHTHOATE)2-METHOXY-1,3-NAPHTHALENEDICARBOXYLIC ACID BIS(9-FLUORO-11BETA-HYDROXY-3,20-DIOXO-16.ALPHA.,17-(1-METHYLETHYLIDENE)BIS(OXY)PREGNA-1,4-DIEN-21-YL) ESTER4,4'-METHYLENE-BIS((9.ALPHA.-FLUORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17.ALPHA.-ISOPROPYLIDENEDIOXY-1,4-PREGNADIENE-3,20-DIONE)3-METHOXY-2-NAPHTHOATE)BIS(2-((4AS,4BR,5S,6AS,6BS,9AR,10AS,10BS)-4B-FLUORO-5-HYDROXY-4A,6A,8,8-TETRAMETHYL-2-OXO-2,4A,4B,5,6,6A,9A,10,10A,10B,11,12-DODECAHYDRO-6BH-NAPHTHO(2',1':4,5)INDENO(1,2-D)(1,3)DIOXOL-6B-YL)-2-OXOETHY L) 4,4'-METHYLENEBIS(3-METHOXY-2-NAPHTHOATE)
물성
구조 계산 물성
- XLogP
- 10.2
- 극성 표면적
- 217 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 91
- 형식 전하
- 0
- 복잡도
- 2,970
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