HIT ID: HIT212078421
Cas No: 429658-95-7;211914-50-0
分子式: C27H30ClN7O3
分子量: 536.03
常用名: Dabigatran ethyl ester hydrochloride
常用名: Dabigatran ethyl ester hydrochloride
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 2.2245002
IUPAC: ethyl 3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoate hydrochloride
IUPAC: ethyl 3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoate hydrochloride
SMILES: Cl.CCOC(=O)CCN(C(=O)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1)c1ccccn1
SMILES: Cl.CCOC(=O)CCN(C(=O)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1)c1ccccn1
InChI key: FHWBKCGBULSVFO-UHFFFAOYSA-N
