시코르토나이드
Cicortonide
기본 정보
- CAS
19705-61-4- 표준 SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C#N)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C- InChIKey
SOESEFMFRCCMQV-QWAPGEGQSA-N- 분자식
- C29H37ClFNO7
- 평균 분자량
- 566.1 g/mol
- 단동위원소 질량
- 565.2242584
개요
Cicortonide is a small molecule drug. Cicortonide has a monoisotopic molecular weight of 565.22 Da.
이름 및 식별자
- 우선 이름
- Cicortonide
- IUPAC
- [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-19-cyano-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate
- 현지명
- 시코르토나이드
- 영어명
- Cicortonide
- 분자식
- C29H37ClFNO7
- 분자량
- 566.06
이름 및 동의어
Cicortonide19705-61-4Cicortonide [INN][2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-19-cyano-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetateUL947A614KCicortonidoCicortonidumCicortonidaUNII-UL947A614KSCHEMBL2110020CHEMBL2104139DTXSID201043201
이름 더 보기
시코르토나이드3-(2-Chloroethoxy)-9-fluoro-11β,16α,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carbonitrile Cyclic 163-(2-Chloroethoxy)-9-fluoro-11β-hydroxy-21-acetoxy-16α,17-isopropylidenebisoxy-20-oxopregna-3,5-diene-6-carbonitrile(11β,16α)-21-(Acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-Methylethylidene)bis(oxy)]-20-oxopregna-3,5-diene-6-carbonitrilePregna-3,5-diene-6-carbonitrile, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxo-, (11β,16α)-
Q272911312-((6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-4-(2-chloroethoxy)-2-cyano-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-1,5,6,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl acetate3-(2-CHLOROETHOXY)-9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-20-OXOPREGNA-3,5-DIENE-6-CARBONITRILE, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE3-(2-Chloroethoxy)-9-fluoro-11beta, 16alpha,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carbonitrile, cyclic 16,17-acetal with acetone, 21-acetate.3-(2-Chloroethoxy)-9-fluoro-11beta,16alpha,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carbonitrile, cyclic 16,17-acetal with acetone, 21-acetate
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,210
화학 및 산업
응용 분야
용도A corticosteroid with anti-inflammatory activity.
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