Chlorhexidine digluconate
HIT214314969
sdf文件结构编辑类似物检索
HIT ID: HIT214314969
Cas No: 18472-51-0
分子式: C28H42Cl2N10O7
分子量: 701.61
常用名: Chlorhexidine digluconate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; N-(4-chlorophenyl)-1-{N'-[6-(N-{[N'-(4-chlorophenyl)carbamimidamido]methanimidoyl}amino)hexyl]carbamimidamido}methanimidamide
IUPAC: (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; N-(4-chlorophenyl)-1-{N'-[6-(N-{[N'-(4-chlorophenyl)carbamimidamido]methanimidoyl}amino)hexyl]carbamimidamido}methanimidamide
SMILES: OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
SMILES: OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
InChI key: KUXUALPOSMRJSW-CAXHYWHXSA-N
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