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기본 정보
- CAS
83903-06-4- 표준 SMILES
Cc1ccc(Cc2cnc(NCCSCc3ccc(CN(C)C)o3)[nH]c2=O)cn1- InChIKey
IKEHSFKMCULMKJ-UHFFFAOYSA-N- 분자식
- C21H27N5O2S
- 평균 분자량
- 413.547 g/mol
- 단동위원소 질량
- 413.1885461
이름 및 식별자
- 우선 이름
- Lupitidine
- IUPAC
- 2-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-4(1H)-one
- 현지명
- 루피티딘
- 영어명
- Lupitidine
- 분자식
- C21H27N5O2S
- 분자량
- 413.54
이름 및 동의어
루피티딘LupitidineLupitidinumLupitidine [inn]Lupitidinum [latin]2-[[2-[[5-(Dimethylaminomethyl)-2-furyl]methylthio]ethyl]amino]-5-(6-methyl-3-pyridinylmethyl)pyrimidine-4(1H)-one2-[2-[[5-(2-aminopropan-2-yl)furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one2-[[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]pyrimidin-4(1H)-one2-[[2-[[[2-[(Dimethylamino)methyl]-5-furanyl]methyl]thio]ethyl]amino]-5-[(2-methyl-5-pyridyl)methyl]-4(1H)-pyrimidinone2-((2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-4(1H)-pyrimidinone4(1H)-Pyrimidinone, 2-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-
데이터베이스 식별자
- CAS
83903-06-4- PubChem CID
- 4375468
- DTXSID
DTXSID5043760- ChEMBL
CHEMBL69178- UNII
- WF028DWK9N
- Nikkaji
- J33.141D
물성
물리화학적 성질
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.08 · 9.08±0.50(Predicted)
화학 및 산업
응용 분야
용도Antagonist (to histamine H2receptors, veterinary).
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
관련 반응
4건
화합물 노트
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