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기본 정보
- CAS
858668-07-2- 표준 SMILES
CN(C)CCNC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1- InChIKey
MARIUIDCPUZLKZ-FUKQBSRTSA-N- 분자식
- C25H31F3N4O2
- 평균 분자량
- 476.543 g/mol
- 단동위원소 질량
- 476.23991089
이름 및 식별자
- 우선 이름
- EMD-534085
- IUPAC
- N-[2-(Dimethylamino)ethyl]-N'-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea
- 영어명
- EMD 534085
- 분자식
- C25H31F3N4O2
- 분자량
- 476.53
이름 및 동의어
CS-1076EMD 534085EMD 534085EMD-534085EMD534085EMD-534085EMD 534085.1-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-2-yl]methyl}-3-[2-(dimethylamino)ethyl]urea1-(2-(dimethylamino)ethyl)-3-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)urea1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]ureaN-[2-(Dimethylamino)ethyl]-N'-[[(2R,4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-5-phenyl-9-(trifluoromethyl)-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ureaUrea, N-[2-(dimethylamino)ethyl]-N'-[[(2R,4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-5-phenyl-9-(trifluoromethyl)-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-
데이터베이스 식별자
- CAS
858668-07-2- PubChem CID
- 23634407
- DTXSID
DTXSID90235147- ChEMBL
CHEMBL1077204- UNII
- AL67QX8036
물성
물리화학적 성질
- 끓는 점
- 609.5 · 609.5±55.0 °C(Predicted)
- 밀도
- 1.195 · 1.195
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 26 · DMSO:26.0(Max Conc. mg/mL);54.56(Max Conc. mM)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.78 · 13.78±0.46(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사37 곳
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