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기본 정보
- CAS
290297-57-3- 표준 SMILES
Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
HCNNJLLLMSVTFH-UHFFFAOYSA-N- 분자식
- C28H28F6N4O
- 평균 분자량
- 550.5 g/mol
개요
Imnopitant is a small molecule drug. The usage of the INN stem '-pitant' in the name indicates that Imnopitant is a neurokinin NK1 (substance P) receptor antagonist. Imnopitant has a monoisotopic molecular weight of 550.22 Da.
이름 및 식별자
- 우선 이름
- Imnopitant
- IUPAC
- N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
이름 및 동의어
Imnopitant290297-57-3Imnopitant [INN]F1516R3E77UNII-F1516R3E77N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamidecompound 20 [PMID: 16332435]compound 20 (PMID: 16332435)N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamideN-((3,5-bis(trifluoromethyl)phenyl)methyl)-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamideRefChem:148035CHEMBL206488
이름 더 보기
SCHEMBL905330orb1685288SCHEMBL29467378GTPL10462BDBM50178565AKOS040759835DA-74459HY-109147
데이터베이스 식별자
- CAS
290297-57-3- PubChem CID
- 9808518
- ChEMBL
CHEMBL206488- UNII
- F1516R3E77
물성
구조 계산 물성보충 중
- XLogP
- 5.8
- 극성 표면적
- 39.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 793
화학 및 산업
공급사4 곳
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
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]
济南九黎生物科技有限公司15865264761 · [email protected]
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