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기본 정보
- CAS
1643757-72-5- 표준 SMILES
Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.[Cl-]- InChIKey
LBTQUZNIWCWBNN-UHFFFAOYSA-N- 분자식
- C31H37Cl2F6N4O5P
- 평균 분자량
- 761.5 g/mol
- 단동위원소 질량
- 760.1782817
이름 및 식별자
- 우선 이름
- Fosnetupitant Chloride Hydrochloride
- IUPAC
- [4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)-2-pyridinyl]-1-methylpiperazin-1-ium-1-yl]methyl dihydrogen phosphate;chloride;hydrochloride
- 영어명
- Fosnetupitant chloride hydrochloride
- 분자식
- C31H36F6N4O5P.
- 분자량
- 761.52
이름 및 동의어
Fosnetupitant chloride1643757-72-5Fosnetupitant chloride hydrochloride08-PNETFosnetupitant dihydrochlorideZR36MFA9P8Fosnetupitant chloride [USAN]Fosnetupitant chloride hydrochloride [USAN]DTXSID101027634FOSNETUPITANT CHLORIDE [USAN RESCINDED]FOSNETUPITANT CHLORIDE HYDROCHLORIDE [JAN]Piperazinium, 4-(5-((2-(3,5-bis(trifluoromethyl)phenyl)-2-methyl-1-oxopropyl)methylamino)-4-(2-methylphenyl)-2-pyridinyl)-1-methyl-1-((phosphonooxy)methyl)-, chloride, hydrochloride (1:1:1)
이름 더 보기
Fosnetupitant hydrochlorideFosnetupitant chloride monohydrochloride
FOSNETUPITANT CHLORIDE HYDROCHLORIDE [WHO-DD]FOSNETUPITANT CHLORIDE HYDROCHLORIDE [ORANGE BOOK]AKYNZEO FOR INJECTION COMPONENT FOSNETUPITANT CHLORIDE HYDROCHLORIDE4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(2-methylphenyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazinium chloride monohydrochlorideFOSNETUPITANT CHLORIDE (USAN RESCINDED)4-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(2-methylphenyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-ium chloride monohydrochloride4-[5-{2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl]-1-methyl-1-[(phosphonooxy)methyl]piperazin-1-ium chloride monohydrochloride4-[5-{2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl]-1-methyl-1-[(phosphonooxy)methyl]piperazinium chloride monohydrochloride
데이터베이스 식별자
- CAS
1643757-72-5- PubChem CID
- 86764535
- DTXSID
DTXSID101027634- ChEMBL
CHEMBL3989919- UNII
- ZR36MFA9P8
물성
구조 계산 물성보충 중
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 물리적 상태
- Solid
- 색상
- White to off-white
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