Trimetrexate glucuronate
HIT214432866
sdf文件结构编辑类似物检索
HIT ID: HIT214432866
Cas No: 82952-64-5
分子式: C25H33N5O10
分子量: 563.564
常用名: Trimetrexate glucuronate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid; 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine
IUPAC: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid; 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine
SMILES: O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
SMILES: O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
InChI key: ZCJXQWYMBJYJNB-LRDBBFHQSA-N
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