기본 정보
- CAS
1821705-03-6- 표준 SMILES
Cc1cc(N2CCN([C@H]3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)CC2)n(-c2ccccc2)n1- InChIKey
MUJPYBZGXSPVDF-PMACEKPBSA-N- 분자식
- C24H33N5O4
- 평균 분자량
- 455.5 g/mol
이름 및 식별자
- 우선 이름
- (2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- 영어명
- (2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)pyrrolidine-2-carboxylic acid
- 분자식
- C24H33N5O4
- 분자량
- 455.55
이름 및 동의어
1821705-03-6(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)pyrrolidine-2-carboxylic acidC24H33N5O4starbld0000666Teneligliptin impurity 37orb3144391SCHEMBL17270068MFCD28387198TYD-03732AKOS037651021CS-15718D72340
이름 더 보기
Teneligliptin Impurity 481,2-Pyrrolidinedicarboxylic acid, 4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
F808657(2s,4s)-1-(t-butoxycarbonyl)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidine-2-carboxylic acid(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)pyrrolidine-2-carboxylic aci...(2S,4S)-1-tert-butoxycarbonyl-4-[4-(5-methyl-2-phenyl-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
데이터베이스 식별자
- CAS
1821705-03-6
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 91.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 699
물리화학적 성질
- 끓는 점
- 632.7 · 632.7±55.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, protect from light
- 산도 계수 (pKa)
- 3.61 · 3.61±0.20(Predicted)
화학 및 산업
공급사10 곳
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
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