(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one Hydrochloride Salt
기본 정보
- CAS
486459-70-5- 표준 SMILES
Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)ccc1F- InChIKey
OPKGENHMHPEFFZ-RFVHGSKJSA-N- 분자식
- C16H17ClF5N5O
- 평균 분자량
- 425.78 g/mol
- 단동위원소 질량
- 425.1041787
이름 및 식별자
- 우선 이름
- (R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one Hydrochloride Salt
- IUPAC
- (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;hydrochloride
- 영어명
- Sitagliptin EP Impurity B HCl
- 분자식
- C16H17ClF5N5O
- 분자량
- 425.79
이름 및 동의어
486459-70-5(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one hydrochloride(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one Hydrochloride SaltCHEMBL537400U4W59258K71,2,4-Triazolo[4,3-a]pyrazine, 7-[(3R)-3-amino-4-(2,5-difluorophenyl)-1-oxobutyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, monohydrochloride1-Butanone, 3-amino-4-(2,5-difluorophenyl)-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-, hydrochloride (1:1), (3R)-Sitagliptin EP Impurity B HClSitagliptin Defluoro Impurity 6 HClSitagliptin EP Impurity B HydrochlorideSitagliptin EP Impurity B HCl (SitagliptinDefluoro Impurity 6 HCl)Sitagliptin Phosphate Impurity 15 Hydrochloride (Sitagliptin Phosphate Monohydrate EP Impurity B Hydrochloride)
이름 더 보기
(R)-7-[3-Amino-1-oxo-4-(2,5-difluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine HCl(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one hydrochloride (Sitagliptin Impurity)
데이터베이스 식별자
- CAS
486459-70-5- PubChem CID
- 11418876
- ChEMBL
CHEMBL537400- UNII
- U4W59258K7
물성
구조 계산 물성
- 극성 표면적
- 77 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 536
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…