3,4,5-trihydroxy-6-{3-[1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid, Phenylephrine Glucuronide
HIT218677251
sdf文件结构编辑类似物检索
HIT ID: HIT218677251
Cas No:
分子式: C15H21NO8
分子量: 343.332
常用名: 3,4,5-trihydroxy-6-{3-[1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid, Phenylephrine Glucuronide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3,4,5-trihydroxy-6-{3-[1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid
SMILES: CNCC(O)c1cccc(OC2OC(C(O)C(O)C2O)C(O)=O)c1
InChI key: DMVJUYDQYGHJIC-UHFFFAOYSA-N
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