기본 정보
- CAS
583057-49-2- 표준 SMILES
Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O- InChIKey
HAAITRDZHUANGT-FYZYNONXSA-N- 분자식
- C20H16Cl3N3O4S
- 평균 분자량
- 500.8 g/mol
- 단동위원소 질량
- 498.99271
개요
Arasertaconazole nitrate is an organic nitrate salt obtained by reaction of equimolar amounts of arasertaconazole and nitric acid. The active R-enantiomer of sertaconazole nitrate that is used for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug. It is an organic nitrate salt, an imidazole antifungal drug and a conazole antifungal drug. It contains an arasertaconazole(1+). It is an enantiomer of a (S)-sertaconazole nitrate.
이름 및 식별자
- 우선 이름
- Arasertaconazole mononitrate
- IUPAC
- 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
이름 및 동의어
arasertaconazole nitratearasertaconazole mononitrateDXL8FD2HFTSertaconazole nitrate, (R)-UNII-DXL8FD2HFT1H-Imidazole, 1-((2R)-2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate1H-Imidazole, 1-((2R)-2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, nitrate (1:1)583057-49-21-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acidSCHEMBL4666243SCHEMBL29409442CHEBI:83692
이름 더 보기
HAAITRDZHUANGT-FYZYNONXSA-NQ27157107(R)-(-)-1-[2-(7-chlorobenzo[b]thiophen-3-yl-methoxy)-2-(2,4-dichlorophenyl)-ethyl]-1H-imidazole mononitrate1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate
데이터베이스 식별자
- CAS
583057-49-2- PubChem CID
- 9806019
- ChEBI
CHEBI:83692- UNII
- DXL8FD2HFT
물성
구조 계산 물성
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 513
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