기본 정보
- CAS
334476-46-9- 표준 SMILES
Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
SBBYBXSFWOLDDG-JLTOFOAXSA-N- 분자식
- C23H24F7N3O
- 평균 분자량
- 491.4 g/mol
- 단동위원소 질량
- 491.18075953
개요
Vestipitant has been investigated for the treatment of Tinnitus.
이름 및 식별자
- 우선 이름
- Vestipitant
- IUPAC
- (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
- 현지명
- 수혜자
- 영어명
- VESTIPITANT
- 분자식
- C23H24F7N3O
- 분자량
- 491.45
이름 및 동의어
Vestipitant334476-46-9(2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamideGW597599GW-597599S052TOI9BIDTXSID501870921-Piperazinecarboxamide, N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2S)-1-PIPERAZINECARBOXAMIDE, N-(1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-N-(1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYLPIPERAZINE-1-CARBOXAMIDEvestipitantum(2S)-N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
이름 더 보기
수혜자(S)-N-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide1-Piperazinecarboxamide, N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2S)-
(2S)-N-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamideRefChem:194154DTXCID10202598DTXCID60109583DTXSID20870328Vestipitant [INN]UNII-S052TOI9BIVESTIPITANT [WHO-DD]
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 35.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 679
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 484.1 · 484.1±45.0 °C(Predicted)
- 밀도
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.92 · 7.92±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds that inhibit or block the activity of NEUROKININ-1 RECEPTORS.
공급사3 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
관련 반응
6건
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