로라타딘케톤
Loratadine ketone
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기본 정보
- CAS
130642-50-1- 표준 SMILES
CN1CCC(C(=O)c2ncccc2CCc2cccc(Cl)c2)CC1- InChIKey
YBWTYYOASANXND-UHFFFAOYSA-N- 분자식
- C20H23ClN2O
- 평균 분자량
- 342.9 g/mol
- 단동위원소 질량
- 342.1498911
이름 및 식별자
- 우선 이름
- Loratadine ketone
- IUPAC
- [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
- 현지명
- 로라타딘케톤
- 영어명
- Loratadine ketone
- 분자식
- C20H23ClN2O
- 분자량
- 342.86
이름 및 동의어
130642-50-1Loratadine ketone(3-(3-Chlorophenethyl)pyridin-2-yl)(1-methylpiperidin-4-yl)methanone[3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone3-[2-(3-CHLOROPHENYL)ETHYL]-2-(1-METHYLPIPERIDINE-4-CARBONYL)PYRIDINE{3-[2-(3-chloro-phenyl)-ethyl]-pyridin-2-yl}-(1-methyl-piperidin-4-yl)-methanone[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone(Loratadine Ketone Impurit(1-Methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]methanoneSCHEMBL4452360MFCD08704806[3-[2-(3-chlorophenyl)ethyl]-2-pyridyl]-(1-methyl-4-piperidyl)methanoneAKOS017343488
이름 더 보기
로라타딘케톤DESLORATADINE METHANONE IMPURITY (FREE BASE)1-(METHYL-4-PIPERIDINYL) [3(2)-(3-CHLOROPHENYL) ETHYL 2-PYRI...(1-methyl-4-piperidinyl-3-[2-(3-chlorophinyl)-ethyl]Methanone Hydrochloride1-(METHYL-4-PIPERIDINYL) [3(2)-(3-CHLOROPHENYL) ETHYL 2-PYRIDINYL] METHANONEMethanone, [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)-{3-[2-(3-Chlorophenyl)-Ethyl]-2-Pyridinyl}-(1-Methyl-4-Piperidinyl)-Methanone(1-Methyl-4-Piperidinyl) [3-[2-(3-Chlorophenyl)Ethyl]-2-Pyridinyl]Methanone HCl
[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone (Loratadine Ketone Impurity)[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone (Loratadine Ketone Impurity); [3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone(Loratadine Ketone Impurity)
데이터베이스 식별자
- CAS
130642-50-1- PubChem CID
- 9967913
- Nikkaji
- J2.862.570G
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 33.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 408
물리화학적 성질
- 녹는점
- 179 · 179-186°C
- 끓는 점
- 462 · 462.0±45.0 °C(Predicted)
- 밀도
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.18 · 8.18±0.10(Predicted)
- InChI
- InChI=1S/C20H23ClN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3
- InChIKey
- YBWTYYOASANXND-UHFFFAOYSA-N
- SMILES
- C(C1=NC=CC=C1CCC1=CC=CC(Cl)=C1)(C1CCN(C)CC1)=O
화학 및 산업
응용 분야
용도[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone is an impurity of Loratadine (L469575), a nonsedating-type histamine H1-receptor.
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