기본 정보
- CAS
1613458-78-8- 표준 SMILES
CC[C@@H](/C=C/C(=O)N1CCc2ccccc21)NC(=O)C1(N)CCOCC1.Cl- InChIKey
WZTHSMHCYITKEX-YNOPKORFSA-N- 분자식
- C20H28ClN3O3
- 평균 분자량
- 393.9 g/mol
이름 및 식별자
- 우선 이름
- Jtj4sgm9LN
- IUPAC
- 4-amino-N-[(E,3S)-6-(2,3-dihydroindol-1-yl)-6-oxohex-4-en-3-yl]oxane-4-carboxamide;hydrochloride
- 영어명
- 2H-Pyran-4-carboxamide, 4-amino-N-[(1S,2E)-4-(2,3-dihydro-1H-indol-1-yl)-1-ethyl-4-oxo-2-buten-1-yl]tetrahydro-, hydrochloride (1:1)
- 분자식
- C20H28ClN3O3
- 분자량
- 393.91
이름 및 동의어
JTJ4SGM9LN1613458-78-8GSK-2793660 hydrochlorideUNII-JTJ4SGM9LN2H-Pyran-4-carboxamide, 4-amino-N-((1S,2E)-4-(2,3-dihydro-1H-indol-1-yl)-1-ethyl-4-oxo-2-buten-1-yl)tetrahydro-, hydrochloride (1:1)CHEMBL5723372SCHEMBL17685138WZTHSMHCYITKEX-YNOPKORFSA-NHY-112318AMS-26614CS-0380318(S,E)-4-Amino-N-(6-(indolin-1-yl)-6-oxohex-4-en-3-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
이름 더 보기
4-amino-N-[(3S,4E)-6-(2,3-dihydro-1H-indol-1-yl)-6-oxohex-4-en-3-yl]tetrahydropyran-4-carboxamide hydrochloride2H-Pyran-4-carboxamide, 4-amino-N-[(1S,2E)-4-(2,3-dihydro-1H-indol-1-yl)-1-ethyl-4-oxo-2-buten-1-yl]tetrahydro-, hydrochloride (1:1)
4-amino-N-[(1S,2E)-4-(2,3-dihydro-1H-indol-1-yl)-1-ethyl-4-oxo-2-buten-1-yl]tetrahydro-2H-pyran-4-carboxamide hydrochloride4-amino-N-[(E,3S)-6-(2,3-dihydroindol-1-yl)-6-oxohex-4-en-3-yl]oxane-4-carboxamide;hydrochloride
데이터베이스 식별자
- CAS
1613458-78-8- PubChem CID
- 74766536
- ChEMBL
CHEMBL5723372- UNII
- JTJ4SGM9LN
물성
구조 계산 물성
- 극성 표면적
- 84.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 542
물리화학적 성질
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사5 곳
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
天津研楷科技有限公司18500985499 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
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