기본 정보
- CAS
1375470-88-4- 표준 SMILES
C[C@@H]1[C@H](c2ccccc2)C[C@H](N)C(=O)N1CC(F)(F)F.Cl- InChIKey
IXWPEFGFFDTWQC-GWFKABJVSA-N- 분자식
- C14H18ClF3N2O
- 평균 분자량
- 322.75 g/mol
이름 및 식별자
- 우선 이름
- (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one hydrochloride
- IUPAC
- (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
- 영어명
- (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one hydrochloride
- 분자식
- C14H18ClF3N2O
- 분자량
- 322.7537296
이름 및 동의어
1375470-88-4(3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one hydrochloride(3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride(3S,5S,6R)-3-Amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone hydrochloride (1:1)78VZC5G4AKSCHEMBL3700365DB-189737CS-0057922(3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one HCl salt(3S,5S,6R)-3-Amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone hydrochloride2-Piperidinone, 3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-, hydrochloride, (3S,5S,6R)-(3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
이름 더 보기
Ubrogepant?intermediate A00(3S,5S,6R)-3-amino-6-Methyl-5-phenyl-1-(2,2,2-trisFluoroEthyl)piperidin-2-one hydrochloride(3S, 5S, 6R) -3-amino-6-methyl-5-phenyl-1- (2,2,2-trifluoroethyl) piperidine-2-one hydrochloride2-Piperidinone,3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-,hydrochloride (1:1), (3S,5S,6R)-
물성
구조 계산 물성
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 353
물리화학적 성질
- InChI
- InChI=1/C14H17F3N2O.ClH/c1-9-11(10-5-3-2-4-6-10)7-12(18)13(20)19(9)8-14(15,16)17;/h2-6,9,11-12H,7-8,18H2,1H3;1H/t9-,11-,12+;/s3
- InChIKey
- IXWPEFGFFDTWQC-OHZHDSOUNA-N
- SMILES
- N1(CC(F)(F)F)[C@H](C)[C@H](C2=CC=CC=C2)C[C@H](N)C1=O.[H]Cl |&1:6,8,16,r|
화학 및 산업
공급사39 곳
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