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기본 정보
- CAS
1573118-33-8- 표준 SMILES
CC#CCn1c(N2CCC[C@@H](N3C(=O)c4ccc(C)cc4C3=O)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C- InChIKey
AGWYFWXRPWKTBR-JOCHJYFZSA-N- 분자식
- C34H32N8O4
- 평균 분자량
- 616.7 g/mol
- 단동위원소 질량
- 616.25465153
이름 및 식별자
- 우선 이름
- 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3(R)-4-methylphthalimidopiperidine-yl)-xanthine
- IUPAC
- 7-but-2-ynyl-3-methyl-8-[(3R)-3-(5-methyl-1,3-dioxoisoindol-2-yl)piperidin-1-yl]-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
- 영어명
- 1573118-33-8
- 분자식
- C34H32N8O4
- 분자량
- 616.67
이름 및 동의어
1573118-33-81-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3(R)-4-methylphthalimidopiperidine-yl)-xanthine5X77FB3MA5AGWYFWXRPWKTBR-JOCHJYFZSA-N(R)-7-(but-2-yn-1-yl)-3-methyl-8-(3-(5-methyl-1,3-dioxoisoindolin-2-yl)piperidin-1-yl)-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-4-methylphthalimidopiperidin-1-yl)-xanthine1-[(4-Methylquinazolin-2yl) methyl]-3-methyl-7-(2-butin-1yl)-8-(3(R)-4-methyl phthalimidopiperidine-yl)-xanthine1-[(4-Methylquinazolin-2yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3(R)-4-methyl phthalimidopiperidine-yl)-xanthine1-[(4-Methylquinazolin-2yl)methyl]-3-methyl-7-(2-butin-1yl)-8-(3(R)-4-methyl phthalimidopiperidine-yl)-xanthine1-[(4-Methylquinazolin-2yl)methyl]-3-methyl-7-(2-butin-1yl)-8-(3(R)-4-methylphthalimidopiperidine-yl) xanthine1[(4-Methylquinazolin-2yl) methyl]-3-methyl-7-(2-butin-1yl)-8-(3(R)-4-methyl phthalimidopiperidine-yl)-xanthine1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
물성
구조 계산 물성보충 중
- XLogP
- 3.9
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,310
물리화학적 성질
- 끓는 점
- 793.3 · 793.3±70.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.49 · 2.49±0.50(Predicted)
화학 및 산업
공급사4 곳
济南百隆化学有限公司[email protected] · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
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