기본 정보
- CAS
844903-58-8- 표준 SMILES
Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1- InChIKey
ANGUXJDGJCHGOG-UHFFFAOYSA-N- 분자식
- C25H29N5O
- 평균 분자량
- 415.5 g/mol
- 단동위원소 질량
- 415.23721055
이름 및 식별자
- 우선 이름
- Gsk163090
- IUPAC
- 1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one
- 영어명
- GSK163090
- 분자식
- C25H29N5O
- 분자량
- 415.53
이름 및 동의어
GSK163090RefChem:782733844903-58-8GSK-1630901-(3-(2-(4-(2-Methylquinolin-5-yl)piperazin-1-yl)ethyl)phenyl)imidazolidin-2-oneMFCD18782711GSK 1630901-(3-(2-(4-(2-Methyl-5-quinolinyl)-1-piperazinyl)ethyl)phenyl)-2-imidazolidinoneCHEMBL16315407XI927X82B1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2-imidazolidinone
이름 더 보기
CS-2298GSK163090 (GSK-163090GSK163090, 10 mM in DMSOGSK 163090.5-HT1A/B/D receptor antagonist GS1630902-Imidazolidinone,1-[3-[2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl]phenyl]-Dopamine Receptor,5-HT1A,GSK163090,Inhibitor,5-hydroxytryptamine Receptor,antidepressant,anxiolytic,SerT,inhibit,5-HT1B,5-HT1D,5-HT Receptor,GSK-163090,GSK 163090,Serotonin Receptor,P-glycoprotein
1-(3-{2-[4-(2-METHYLQUINOLIN-5-YL)PIPERAZIN-1-YL]ETHYL}PHENYL)IMIDAZOLIDIN-2-ONEUNII-7XI927X82B1-[3-[2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl]phenyl]-2-imidazolidinoneANGUXJDGJCHGOG-UHFFFAOYSA-N844903-58-8 (GSK-163090 Free base)orb1217603orb1296061SCHEMBL2881345
데이터베이스 식별자
- CAS
844903-58-8- PubChem CID
- 11292933
- DTXSID
DTXSID30233480- ChEMBL
CHEMBL1631540- UNII
- 7XI927X82B
- EC Number
- 629-856-9
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 51.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 607
물리화학적 성질
- 밀도
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 16.5 mg/mL · DMSO : 16.5 mg/mL (39.71 mM)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 14.2 · 14.20±0.20(Predicted)
- 색상
- White to yellow
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301
화학 및 산업
공급사47 곳
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