(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-Difluoro-11-hydroxy-8-(2-hydroxy-2-methoxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
기본 정보
- CAS
62013-83-6- 표준 SMILES
COC(O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C- InChIKey
UXVHXUWPMPKQEY-UXUTUAQOSA-N- 분자식
- C25H32F2O7
- 평균 분자량
- 482.5 g/mol
이름 및 식별자
- 우선 이름
- (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-Difluoro-11-hydroxy-8-(2-hydroxy-2-methoxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
- IUPAC
- (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxy-2-methoxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
- 영어명
- (6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-21-Methoxy-16,17-[(1-Methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione
- 분자식
- C25H32F2O7
- 분자량
- 482.52
이름 및 동의어
62013-83-6(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-Difluoro-11-hydroxy-8-(2-hydroxy-2-methoxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-oneFluocinolone Acetonide Impurity 4(6alpha,11beta,16alpha)-6,9-Difluoro-11,21-dihydroxy-21-methoxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4(2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-2,6b-difluoro-7-hydroxy-8b-(2-hydroxy-2-methoxyacetyl)-6a,8a,10,10-tetramethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-onePubChem ID: 131668129Fluocinolone Acetonide 21-MethoxyFluocinolone Acetonide Impurity 20(6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-21-methoxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione(6a,11b,16a)-6,9-Difluoro-11,21-dihydroxy-21-methoxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-21-methoxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)-
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 574.8 · 574.8±50.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 10.83 · 10.83±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
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