기본 정보
- CAS
678160-57-1- 표준 SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)S[C@@H]1CCOC1=O- InChIKey
OJRPWVDDBGJONP-PQUGYNIPSA-N- 분자식
- C25H30F2O6S
- 평균 분자량
- 496.6 g/mol
- 단동위원소 질량
- 496.17311617
개요
Zoticasone is a small molecule drug. Zoticasone has a monoisotopic molecular weight of 496.17 Da.
이름 및 식별자
- 우선 이름
- Zoticasone
- IUPAC
- S-[(3R)-2-oxooxolan-3-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate
이름 및 동의어
ZoticasoneZoticasonaZoticasonumZoticasone [INN]Zoticasone [WHO-DD]W1M09KX30CZoticasone [INN:BAN]UNII-W1M09KX30C678160-57-1GR215864GR-215864ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXO-, S-((3R)-TETRAHYDRO-2-OXO-3-FURANYL) ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
이름 더 보기
S-((3R)-2-OXOTETRAHYDROFURAN-3-YL) 6.ALPHA.,9-DIFLUORO-12.BETA.,17-DIHYDROXY-16A-METHYL-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOTHIOATES-[(3R)-2-oxooxolan-3-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioateS-((3R)-2-oxooxolan-3-yl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta(a)phenanthrene-17-carbothioateRefChem:196270ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXO-, S-((3R)-TETRAHYDRO-2-OXO-3-FURANYL) ESTER, (6ALPHA,11BETA,16ALPHA,17ALPHA)-S-((3R)-2-OXOTETRAHYDROFURAN-3-YL) 6ALPHA,9-DIFLUORO-12BETA,17-DIHYDROXY-16A-METHYL-3-OXOANDROSTA-1,4-DIENE-17BETA-CARBOTHIOATE192056-77-2CHEMBL3989498
데이터베이스 식별자
- CAS
678160-57-1- PubChem CID
- 9983293
- ChEMBL
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 1,030
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