기본 정보
- CAS
1638497-22-9- 표준 SMILES
CCOC(=O)c1cnc(N2CCC[C@@H]2CO)nc1NCc1ccc(OC)c(Cl)c1- InChIKey
NUTJUOHYJBWTSH-CQSZACIVSA-N- 분자식
- C20H25ClN4O4
- 평균 분자량
- 420.9 g/mol
이름 및 식별자
- 우선 이름
- (R)-Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
- 영어명
- Avanafil iMpurity
- 분자식
- C20H25ClN4O4
- 분자량
- 420.89
이름 및 동의어
1638497-22-9(R)-Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxylateAvanafil Impurity REthyl (R)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxylateC20H25ClN4O4SCHEMBL31143600G70054(R)-Ethyl4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxylateethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylateethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylateethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-[(2S)-2-(hydroxymethyl) pyrrolidin-1-yl]pyrimidine-5-carboxylateAvanafil-001-R
이름 더 보기
AvafilImpurity13Avanafil iMpurityDeschloro AvanafilAvanafil Impurity 67Avanafil Impurity R-1(R)- 4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl) pyrimidine-5-carboxylate ethyl
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 96.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 529
물리화학적 성질
- 끓는 점
- 607.5 · 607.5±65.0 °C(Predicted)
- 밀도
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.77 · 14.77±0.10(Predicted)
화학 및 산업
공급사42 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
深圳达尔森科技有限公司0755-84551027
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