기본 정보
- CAS
668269-51-0- 표준 SMILES
CC#CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C- InChIKey
LTXREWYXXSTFRX-KRWDZBQOSA-N- 분자식
- C25H28N8O2
- 평균 분자량
- 472.5 g/mol
이름 및 식별자
- 우선 이름
- Linagliptin, (S)-
- IUPAC
- 8-[(3S)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
- 영어명
- (S)-8-(3-aMinopiperidin-1-yl)-7-(but-2-ynyl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-1H-purine-2,6(3H,7H)-dione
- 분자식
- C25H28N8O2
- 분자량
- 472.54222
이름 및 동의어
668270-11-92U6HE75USVLINAGLIPTIN, (S)-RefChem:1088474Linagliptin Impurity G(S)-LinagliptinLinagliptin S isomer(S)-8-(3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dioneMFCD28386802UNII-2U6HE75USV(S)-8-(3-Aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione(S)-8-(3-Aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione (Linagliptin Impurity)
이름 더 보기
Linagliptin Impurity 38-bromo-3-methyl-1,7-bis((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione(S)-8-(3-aMinopiperidin-1-yl)-7-(but-2-ynyl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-1H-purine-2,6(3H,7H)-dione
1H-Purine-2,6-dione, 8-((3S)-3-amino-1-piperidinyl)-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-8-[(3S)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dioneLinagliptin Impurity 9C25H28N8O2S-LinagliptinLinagliptin-78-[(3S)-3-Amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dioneLinagliptin Impurity 10 (S-Isomer)
데이터베이스 식별자
- CAS
668269-51-0- UNII
- 2U6HE75USV
- EC Number
- 195-469-2
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 885
화학 및 산업
공급사7 곳
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