Linagliptin mixture with metformin
HIT212716960
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HIT ID: HIT212716960
Cas No: 1198772-26-7
分子式: C29H39N13O2
分子量: 601.72
常用名: Linagliptin mixture with metformin
常用名: Linagliptin mixture with metformin
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 2.8026328
IUPAC: 1-carbamimidamido-N,N-dimethylmethanimidamide; 8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC: 1-carbamimidamido-N,N-dimethylmethanimidamide; 8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES: CN(C)C(=N)NC(N)=N.CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
SMILES: CN(C)C(=N)NC(N)=N.CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
InChI key: JQFLARMXIDCGKG-UNTBIKODSA-N
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