Theophylline ephedrine
HIT219158792
sdf文件结构编辑类似物检索
HIT ID: HIT219158792
Cas No: 15766-94-6
分子式: C17H23N5O3
分子量: 345.403
常用名: Theophylline ephedrine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol; 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol; 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES: CN[C@@H](C)[C@@H](O)c1ccccc1.Cn1c2nc[nH]c2c(=O)n(C)c1=O
SMILES: CN[C@@H](C)[C@@H](O)c1ccccc1.Cn1c2nc[nH]c2c(=O)n(C)c1=O
InChI key: QCGRAEADKWZHRR-KXNXZCPBSA-N
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