11-Propionate 21-chloro diflorasone
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기본 정보
- CAS
181527-42-4- 표준 SMILES
CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](C)[C@]2(O)C(=O)CCl)[C@@H]2C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]12F- InChIKey
GFVRBARAKYZKQQ-BZMPXQBFSA-N- 분자식
- C25H31ClF2O5
- 평균 분자량
- 485 g/mol
- 단동위원소 질량
- 484.1828081
이름 및 식별자
- 우선 이름
- 11-Propionate 21-chloro diflorasone
- IUPAC
- [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] propanoate
- 영어명
- [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] propanoate
- 분자식
- C25H31ClF2O5
- 분자량
- 484.96
이름 및 동의어
181527-42-411-Propionate 21-chloro diflorasoneUNII-37T2132Q0137T2132Q01DTXSID8017116121-CHLORO-6.ALPHA.,9-DIFLUORO-11.BETA.,17-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 11-PROPIONATEPREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-6,9-DIFLUORO-17-HYDROXY-16-METHYL-11-(1-OXOPROPOXY)-, (11.BETA.)-HALOBETASOL PROPIONATE IMPURITY, 11-PROPIONATE 21-CHLORO DIFLORASONE-(USP IMPURITY)HALOBETASOL PROPIONATE IMPURITY, 11-PROPIONATE 21-CHLORO DIFLORASONE-[USP IMPURITY]RefChem:78011DTXCID309365221-CHLORO-6ALPHA,9-DIFLUORO-11BETA,17-DIHYDROXY-16ALPHA-METHYLPREGNA-1,4-DIENE-3,20-DIONE 11-PROPIONATE
이름 더 보기
Halobetasol 11-PropionateHalobetasolPropioteImpurity13Halobetasol Propionate Impurity CHalobetasol Propionate Impurity 13Halobetasol Propionate USP Impurity CPregna-1,4-diene-3,20-dione, 21-chloro-6,9-difluoro-17-hydroxy-16-methyl-11-(1-oxopropoxy)-, (11β)- (9CI)Halobetasol Propionate Impurity: (11?)-21-Chloro-6,9-difluoro-17-hydroxy-16-methyl-11-(1-oxopropoxy)pregna-1,4-diene-3,20-dione(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-Chloroacetyl)-6,9-difluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-11-yl propionate (Halobetasol Propionate Impurity)
PREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-6,9-DIFLUORO-17-HYDROXY-16-METHYL-11-(1-OXOPROPOXY)-, (11BETA)-11-Propionate 21- chloro diflorasone11-O-Propionyl Halobetasol[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl] propanoate(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-11-yl propionate(11beta)-21-Chloro-6,9-difluoro-17-hydroxy-16-methyl-11-(1-oxopropoxy)pregna-1,4-diene-3,20-dione; Halobetasol Propionate Impurity CI82506Q27256697
데이터베이스 식별자
- CAS
181527-42-4- PubChem CID
- 71587593
- DTXSID
DTXSID80171161- UNII
- 37T2132Q01
물성
구조 계산 물성보충 중
- XLogP
- 3.7
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 964
물리화학적 성질
- 끓는 점
- 570.7 · 570.7±50.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 용해도
- 메탄올(약간)에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.71 · 11.71±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 소분자 약용
화학 및 산업
응용 분야
용도11-O-Propionyl Halobetasol is an impurity of Halobetasol (H102290); an anti-inflammatory drug that is used to treat various dermatological conditions which mainly consist of various forms of psoriasis.
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